SCHEMBL9717299

SCHEMBL9717299

CC(C(=O)Br)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 3/20 0.44
GRM7 Q14831 2/20 0.44
MAPK1 P28482 2/20 0.44
BCHE P06276 1/20 0.44
HTR1A P08908 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 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
SCHEMBL2928062 0.80 PTGS2 (0.56) PTGS2CYP2D6SRCFAAHLMNA
SCHEMBL68873 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1
SCHEMBL66842 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1
SCHEMBL10411845 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1
SCHEMBL3418 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1
SCHEMBL23581099 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1
Benzene SCHEMBL28145708 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1
Iodide SCHEMBL3868944 0.80 PTGS2 (0.75) PTGS2CYP2D6SRCLMNAMAPK1
SCHEMBL8356528 0.78 PTGS2 (0.59) PTGS2CYP2D6SRCFAAHLMNA
SCHEMBL9569033 0.78 PTGS2 (0.72) PTGS2CYP2D6SRCLMNAMAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661336-A Synthesis method of pesticide intermediate 2, 6-dimethyl-1-indenone 江苏扬农化工股份有限公司 2025-03-21 CN disclosed
EP-0289324-B1 METHOD FOR RACEMIZATION OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
EP-0299760-B1 METHOD FOR RACEMIZATION OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID OR ITS DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-08 EP disclosed
EP-0282221-B1 METHOD FOR RACEMIZATION OF OPTICALLY ACTIVE CHRYSANTHEMIC ACID OR ITS ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-15 EP disclosed
US-4898655-A Method for racemization of optically active chrysanthemic acid or its derivatives SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1990-02-06 US disclosed
US-4820864-A Method for racemization of optically active chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-11 US disclosed
US-4812264-A Method for racemization of optically active chrysanthemic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-03-14 US disclosed
EP-0299760-A1 Method for racemization of optically active chrysanthemic acid or its derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-18 EP disclosed
EP-0289324-A1 Method for racemization of optically active chrysanthemic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-02 EP disclosed
EP-0282221-A2 Method for racemization of optically active chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-14 EP disclosed