SCHEMBL9766744

SCHEMBL9766744

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC(=O)O)[C@@H]3CCC4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.53
▸ NR1H4 Q96RI1 4/20 0.53
▸ CASP7 P55210 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ VDR P11473 2/20 0.53
▸ EPHA2 P29317 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MDM4 O15151 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HSPD1 P10809 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PTPN2 P17706 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ BRCA1 P38398 1/20 0.53
▸ HSPE1 P61604 1/20 0.53

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
SCHEMBL9766739 1.00 GPBAR1 (0.53) GPBAR1NR1H4CASP7TDP1TP53
SCHEMBL9766747 0.83 HMGCR (0.49) TP53LMNAPTPN1HIF1AUSP2
SCHEMBL9766753 0.83 HMGCR (0.49) TP53LMNAPTPN1HIF1AUSP2
SCHEMBL11347584 0.81 OSBP (0.54) GPBAR1NR1H4CASP7TDP1TP53
SCHEMBL11347581 0.81 OSBP (0.54) GPBAR1NR1H4CASP7TDP1TP53
SCHEMBL11348323 0.81 OSBP (0.54) GPBAR1NR1H4CASP7TDP1TP53
SCHEMBL9766832 0.81 NPC1L1 (0.44) GPBAR1NR1H4CASP7TDP1TP53
Epicoprosterol SCHEMBL4734944 0.77 GPBAR1 (0.77) GPBAR1NR1H4CASP7TDP1TP53
Epicoprosterol SCHEMBL24632942 0.75 OSBP (0.78) GPBAR1NR1H4CASP7TDP1TP53
Epicoprosterol SCHEMBL12549295 0.75 OSBP (0.78) GPBAR1NR1H4CASP7TDP1TP53

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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