SCHEMBL9535804

SCHEMBL9535804

COC(=O)C=CCCCC[C@H]1C=CC[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 1/20 0.31
CNR1 P21554 4/20 0.31
CNR2 P34972 4/20 0.31
TRPV1 Q8NER1 4/20 0.31

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
SCHEMBL9535251 0.82
SCHEMBL16287745 0.79 HCAR2 (0.40) KEAP1NFE2L2HCAR2MAPTCNR1
SCHEMBL16289019 0.75 HCAR2 (0.41) KEAP1NFE2L2HCAR2MAPTCNR1
SCHEMBL8835495 0.72 PGR (0.34) KEAP1NFE2L2HCAR2MAPTCNR1
SCHEMBL31681514 0.72 HCAR2 (0.55) KEAP1NFE2L2HCAR2MAPTCNR1
SCHEMBL9534115 0.70 DNTT (0.36) KEAP1NFE2L2HCAR2MAPTCNR1
SCHEMBL9306488 0.70 ALDH1A1 (0.42) KEAP1NFE2L2HCAR2
SCHEMBL16287316 0.70 HCAR2 (0.43) KEAP1NFE2L2HCAR2MAPT
SCHEMBL15423612 0.70 FAAH (0.31)
SCHEMBL11621723 0.69 PGR (0.36) KEAP1NFE2L2HCAR2MAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362816-B1 Cyclopenteneheptanoic acid derivatives and method of preparation thereof SEARLE & CO (US) 1993-11-18 EP disclosed
US-4952710-A STARTING MATERIAL FOR OPTICALLY ACTIVE PROSTAGLANDINS G. D. SEARLE & CO. (US) 1990-08-28 US disclosed
EP-0362816-A1 Cyclopenteneheptanoic acid derivatives and method of preparation thereof G.D. Searle & Co. (US) 1990-04-11 EP disclosed