SCHEMBL230035

SCHEMBL230035

Cc1ccc2ccccc2c1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.60
CYP1A2 P05177 5/20 0.59
MAPT P10636 2/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 1/20 0.54
CYP2A6 P11509 4/20 0.54
TSHR P16473 3/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL29357470 1.00 ERN1 (0.60) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL29377043 0.98 ERN1 (0.58) ERN1CYP1A2MAPTCYP2C9CYP2C19
Hydrogen Sulfide SCHEMBL28330037 0.98 ERN1 (0.58) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL15845323 0.90 HPRT1 (0.52) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL3281459 0.84 ERN1 (0.49) ERN1CYP1A2MAPTCYP2C9CYP2C19
Quinoline SCHEMBL10696880 0.84 ALDH1A1 (0.50) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL8012260 0.83 CYP2A6 (0.58) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL28656430 0.82 CYP1A2 (0.42) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL821212 0.81 TSHR (0.56) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL272576 0.79 CYP2A6 (0.54) ERN1CYP1A2MAPTCYP2C9CYP2C19

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

Claimed or disclosed in 906 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN claimed
WO-2023199360-A1 FLUXAMETAMIDE COMPOSITION AND PROCESS OF PREPARATION THEREOF RAJDHANI PETROCHEMICALS PRIVATE LIMITED (IN) 2023-10-19 WO claimed
CN-113194912-B Antiperspirant or body fragrance composition 弗门尼舍有限公司 2023-07-07 CN claimed
CN-115698247-A Soap composition 弗门尼舍有限公司 2023-02-03 CN claimed
CN-114173750-A Improving the stability of agents for treating keratin materials 汉高股份有限及两合公司 2022-03-11 CN claimed
US-10918579-B2 Density balanced high impact perfume microcapsules FIRMENICH SA (CH) 2021-02-16 US claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
EP-2812316-B1 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES KAO CORP (JP) 2016-08-17 EP claimed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
WO-2001094521-A1 FABRIC CARE COMPOSITIONS AND SYSTEMS FOR DELIVERING CLEAN, FRESH SCENT IN A LIPOPHILIC FLUID TREATMENT PROCESS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO claimed
WO-2001085892-A1 HIGHLY CONCENTRATED FABRIC SOFTENER COMPOSITIONS AND ARTICLES CONTAINING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-11-15 WO claimed
WO-2001085888-A2 LAUNDRY SYSTEM HAVING UNITIZED DOSING THE PROCTER & GAMBLE COMPANY (US) 2001-11-15 WO claimed
WO-2001077064-A1 METHOD FOR THE PREPARATION OF (E)-N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-METHYL-1-NAPHTHALENEMETHANAMINE (TERBINAFINE) SLOVAKOFARMA A.S. (SK) 2001-10-18 WO claimed
US-5977227-A Method for forming aqueous dispersions of ketone resins NCR CORPORATION (US) 1999-11-02 US claimed
EP-0320625-B1 Use of odorous products, especially in vacuum cleaners VORWERK CO INTERHOLDING (DE) 1994-09-14 EP claimed
EP-0404470-B1 Fragrance compositions and their use in detergent products QUEST INT (NL) 1994-04-13 EP claimed
EP-0404470-A1 Fragrance compositions and their use in detergent products QUEST INTERNATIONAL B.V. (NL) 1990-12-27 EP claimed
EP-0147191-B1 PERFUME AND COMPOSITIONS CONTAINING PERFUME UNILEVER N.V. (NL) 1989-10-04 EP claimed
EP-0005618-B1 DEODORANT PRODUCTS, PREPARATION AND USE THEREOF UNILEVER PLC (GB) 1982-06-09 EP claimed