SCHEMBL1099

SCHEMBL1099

COc1ccc([C]=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
APP P05067 2/20 0.52
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
PKM P14618 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 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
SCHEMBL3087936 0.87 RELA (0.59) ALDH1A1CYP2A6KDM4ENPC1MAPT
SCHEMBL3087934 0.87 RELA (0.59) ALDH1A1CYP2A6KDM4ENPC1MAPT
SCHEMBL1505280 0.82 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL15112197 0.81 ALDH1A1 (0.61) CA1CA2ALDH1A1CES2CES1
SCHEMBL15301420 0.80 CYP1A2 (0.54) CA1CA9CA7CA12CA14
SCHEMBL16150820 0.78 HSD17B1 (0.59) CYP2A6NPC1RAB9ACYP3A4
SCHEMBL10989447 0.78 SMN1; SMN2 (0.61) ALDH1A1KDM4EGAAMAPT
SCHEMBL674764 0.78 APP (0.77) CA1CA2CA9CA7CA12
SCHEMBL10300057 0.78 APP (0.77) CA1CA2CA9CA7CA12
SCHEMBL4082593 0.78 CA1 (0.65) CA1CA2CA9CA7CA12

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 7685 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118344355-A Quinazolinone derivative, preparation method thereof and application thereof in anti-inflammatory and anti-tumor 贵州省天然产物研究中心 2024-07-16 CN claimed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-118251380-A Spiro- (indan-fluorene) compounds and their use in organic electronic devices 多蒂肯独家合成控股公司 2024-06-25 CN claimed
WO-2024127026-A1 MEMBRANE FILTRATION-ASSISTED SOLUTION PHASE OLIGONUCLEOTIDE SYNTHESIS Exactmer Limited (GB) 2024-06-20 WO claimed
CN-111194220-B Heparin composition for treating ischemia 黄玲惠 2024-06-18 CN claimed
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
US-4113431-A CELLULOSE REACTED WITH A BENZOYLATING AGENT SHIKIBO LIMITED (JP) 1978-09-12 US claimed
US-4113495-A 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 US claimed
US-4100350-A 3-Substituted propanoic acid derivatives LILLY INDUSTRIES LTD. (GB) 1978-07-11 US claimed
US-4092419-A Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, their preparation and use MERCK & CO., INC. (US) 1978-05-30 US claimed
US-4091104-A Substituted (3-loweralkylamino-2-R1 O-propoxy)pyridines, their preparation and use MERCK & CO., INC. (US) 1978-05-23 US claimed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US claimed
US-4041072-A PSYCHOTROPIC AGENTS DELALANDE S. A. (FR) 1977-08-09 US claimed
US-3960945-A 4-[-(Alkoxy or polyhaloalkoxy)-benzamido]cyclohexanones STERLING DRUG INC. (US) 1976-06-01 US claimed
US-3951964-A Method for preparing azines PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-04-20 US claimed
US-3943132-A Process for the preparation of hydrazones PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-03-09 US claimed