SCHEMBL11737047

SCHEMBL11737047

O=CCc1ccc2c(F)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ ALB P02768 1/20 0.33
▸ IL2 P60568 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MC5R P33032 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HPRT1 P00492 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ HPGD P15428 1/20 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
SCHEMBL15352065 0.81 AKR1B1 (0.36) AKR1B1TRPV1HSD17B1HSD17B2ALB
SCHEMBL1876507 0.80 CYP19A1 (0.48) ERN1CYP19A1
SCHEMBL11738780 0.79 CYP1A2 (0.53) AKR1B1HSD17B1HSD17B2MC5RMAPK1
SCHEMBL11741679 0.79 CYP1A2 (0.45) AKR1B1TRPV1HSD17B1HSD17B2MEN1
SCHEMBL31347600 0.79 SLC9A1 (0.42) AKR1B1RAB9AMEN1KMT2AMC5R
SCHEMBL9715147 0.79 SLC9A1 (0.42) AKR1B1RAB9AMEN1KMT2AMC5R
SCHEMBL11744759 0.78 HSD17B1 (0.38) TRPV1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL15345790 0.78 ROCK1 (0.47) ROCK1
SCHEMBL14604943 0.78 CYP1A2 (0.53) HSD17B1HSD17B2RAB9AMEN1KMT2A
SCHEMBL11740239 0.76 AKR1B1 (0.60) AKR1B1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 — — US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 — — US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 — — US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 — — US disclosed
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