SCHEMBL116606

SCHEMBL116606

COc1cc(N)cc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
CYP3A4 P08684 6/20 0.56
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
CYP19A1 P11511 2/20 0.52
NQO2 P16083 1/20 0.52
CYP1A1 P04798 4/20 0.50
CYP1B1 Q16678 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR6 P50406 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2E1 P05181 2/20 0.44
CYP2C8 P10632 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP4B1 P13584 2/20 0.44
CYP2B6 P20813 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3275940 0.97 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL21611343 0.97 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
Ammonia Solution, Strong SCHEMBL10988442 0.97 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL30365875 0.97 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL5800828 0.94 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL28418203 0.89 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
Formamide SCHEMBL28158838 0.87 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL30839799 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL27185954 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL6981610 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPK1CYP19A1NQO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3057 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504576-A Application of cathode material in reduction of oxidation-reduction potential and electrochromic device 宁波华瓴光学技术有限公司 2025-02-25 CN claimed
CN-115838355-B 1, 4-Disubstituted piperazine-2, 5-dione derivative, preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2024-12-03 CN claimed
CN-118420612-A Target protein degradation compound based on CDK4/6 inhibitor and preparation method and application thereof 沈阳药科大学 2024-08-02 CN claimed
CN-118290306-A Novel nitrogen mustard derivative and preparation method thereof 西南科技大学 2024-07-05 CN claimed
CN-115710202-B Preparation method and application of apataone key intermediate 江西同和药业股份有限公司 2024-05-03 CN claimed
CN-114736264-B Tau protein visual PROTAC degradation compound and preparation method and application thereof 华东师范大学 2024-04-02 CN claimed
WO-2024057332-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ERDAFITINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS & POLYMORPHS THEREOF NATCO PHARMA LIMITED (IN) 2024-03-21 WO claimed
CN-115197165-B Method for preparing benzothiazole compound by reacting photocatalytic toluene compound and o-aminophenylsulfiol 河南师范大学 2024-01-26 CN claimed
CN-116875980-A Copper-reducing additive for HDI board and copper-reducing process 上海天承化学有限公司 2023-10-13 CN claimed
CN-114560811-B 1,3, 5-trisubstituted-pyrazole-4 carboxylic acid derivative, preparation method and application thereof 上海立森印迹医药技术有限公司 2023-09-01 CN claimed
EP-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 EP claimed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
WO-1999031124-A1 CHOLIC ACID-BASED SCAFFOLDS FOR MULTIDIMENSIONAL MOLECULAR PRESENTATION OF PEPTIDES NOVO NORDISK A/S (DK) 1999-06-24 WO claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
EP-0322643-B1 MEDICINES CONTAINING AS A MIXTURE INTERFERON AND 1-DESOXY-PIPERIDINOSES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1991-07-24 EP claimed
EP-0072621-B1 ALKYLENEOXY COMPOUNDS, THEIR PREPARATION AND THEIR USE AS FUGITIVE TINTS MILLIKEN RESEARCH CORPORATION (US) 1985-04-24 EP claimed
EP-0072621-A1 Alkyleneoxy compounds, their preparation and their use as fugitive tints MILLIKEN RESEARCH CORPORATION (US) 1983-02-23 EP claimed