SCHEMBL9862642

SCHEMBL9862642

CCCCCNC(=O)CCCCCCCCCCc1c(-c2ccc(O)cc2)ccc2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.51
▸ CNR1 P21554 8/20 0.51
▸ TRPV1 Q8NER1 4/20 0.48
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ NCOR2 Q9Y618 2/20 0.43

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
SCHEMBL9418189 0.85 TRPV1 (0.50) TRPV1MAPTHDAC3HDAC1HDAC2
SCHEMBL9862582 0.84 MTNR1A (0.47) CNR2CNR1TRPV1
SCHEMBL5335468 0.82 MTNR1A (0.52) CNR2CNR1TRPV1HSD17B10MEN1
SCHEMBL9862542 0.80 MTNR1A (0.44) CNR2CNR1
SCHEMBL9862532 0.80 ESR1 (0.42) CNR1MAPT
SCHEMBL9862446 0.79 HDAC1 (0.59) CNR2CNR1TRPV1HSD17B10MEN1
SCHEMBL5335473 0.78 MTNR1A (0.52) CNR2CNR1TRPV1HSD17B10MEN1
SCHEMBL7194125 0.75 ESR1 (0.63) TRPV1HSD17B10MEN1MAPTKMT2A
SCHEMBL7193335 0.75 ESR1 (0.63) TRPV1HSD17B10MEN1MAPTKMT2A
SCHEMBL7193607 0.75 ESR1 (0.63) TRPV1HSD17B10MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 — — US disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 — — US disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 — — US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 — — EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 — — EP disclosed
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