SCHEMBL9766781

SCHEMBL9766781

CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(CC(=O)O)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.49
▸ CYP3A4 P08684 1/20 0.42
▸ DHCR24 Q15392 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PTGES O14684 2/20 0.35
▸ GPBAR1 Q8TDU6 3/20 0.34
▸ HMGCR P04035 1/20 0.34
▸ ACLY P53396 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ VDR P11473 1/20 0.33

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
SCHEMBL9766831 0.84 TRPV1 (0.51) TRPV1CYP3A4DHCR24ALDH1A1MAPT
SCHEMBL9766734 0.82 USP2 (0.59) TRPV1DHCR24ALDH1A1MAPTALOX15
SCHEMBL665862 0.74 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1MAPT
SCHEMBL6900716 0.74 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1MAPT
SCHEMBL10149106 0.74 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1MAPT
SCHEMBL1703700 0.74 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1MAPT
SCHEMBL10000314 0.74 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1MAPT
SCHEMBL21748185 0.74 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1MAPT
SCHEMBL22150349 0.74 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1MAPT
SCHEMBL14419156 0.74 TRPV1 (0.78) TRPV1CYP3A4DHCR24ALDH1A1MAPT

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
US-5023250-A Anticholesterol agents SMITHKLINE BEECHAM CORPORATION (US) 1991-06-11 — — US disclosed
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