SCHEMBL15075099

SCHEMBL15075099

C[C@@]1(CF)CCc2ccc(Cl)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ MAP3K14 Q99558 2/20 0.38
▸ PPARA Q07869 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ SRD5A1 P18405 7/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SRD5A2 P31213 2/20 0.34

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
SCHEMBL19030425 0.86 AKT1 (0.41) TRPV1AKT1MAP3K14PPARAPPARG
SCHEMBL15075028 0.83 TRPV1 (0.39) TRPV1MAP3K14PPARAPPARGPPARD
SCHEMBL23422992 0.80 KDM1A (0.40) MAP3K14PPARAPPARGPPARDKDM1A
SCHEMBL27471598 0.78 KDM1A (0.41) MAP3K14PPARAPPARGPPARDKDM1A
SCHEMBL15075096 0.77 TRPV1 (0.40) TRPV1MAP3K14PPARAPPARGPPARD
SCHEMBL19030772 0.74 MAP3K14 (0.43) TRPV1MAP3K14PPARAPPARGPPARD
SCHEMBL19030382 0.74 PPARA (0.40) TRPV1PPARAPPARGPPARD
SCHEMBL10346652 0.72 AKT1 (0.54) AKT1PPARAPPARGPPARDBCHE
SCHEMBL10346642 0.70 AKT1 (0.46) AKT1PPARAPPARGPPARDBCHE
SCHEMBL10346909 0.70 AKT1 (0.46) AKT1BCHESRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013096226-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 — — WO disclosed
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