SCHEMBL9634012

SCHEMBL9634012

CCC(Cc1ccc(OC)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.49
▸ LDHA P00338 1/20 0.49
▸ ACACB O00763 2/20 0.48
▸ ADRB2 P07550 2/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ PPARG P37231 1/20 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
SCHEMBL1412207 0.83 ACACB (0.59) LDHAACACB
SCHEMBL21959086 0.81 MEN1 (0.54) LDHA
SCHEMBL15468319 0.78 PKM (0.47) PKMLDHAACACBADRB2TAS1R3
SCHEMBL10079224 0.77 PKM (0.46) PKMLDHAACACBADRB2TAS1R3
SCHEMBL6677141 0.76 ACACB (0.52) LDHAACACB
SCHEMBL6677138 0.76 ACACB (0.52) LDHAACACB
SCHEMBL9632397 0.76 ADRA1D (0.50) PKMADRB2PPARG
SCHEMBL6541208 0.76 CNR1 (0.56) PKMLDHAACACB
SCHEMBL4362047 0.75 ACACB (0.51) LDHAACACB
SCHEMBL4362055 0.75 ACACB (0.51) LDHAACACB

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-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 — — EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 — — US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 — — EP disclosed
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