SCHEMBL9766832

SCHEMBL9766832

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 3/20 0.44
▸ USP2 O75604 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TP53 P04637 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NR1H4 Q96RI1 4/20 0.41
▸ EBP Q15125 1/20 0.41
▸ GPBAR1 Q8TDU6 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CASP7 P55210 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HSPD1 P10809 1/20 0.40
▸ VDR P11473 1/20 0.40

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
SCHEMBL9766722 0.84 HMGCR (0.46) NPC1L1USP2LMNATP53MEN1
SCHEMBL9766820 0.84 HMGCR (0.46) NPC1L1USP2LMNATP53MEN1
SCHEMBL9766757 0.81 CDC25A (0.43) EBP
SCHEMBL9766760 0.81 CDC25A (0.43) EBP
SCHEMBL9766744 0.81 GPBAR1 (0.53) USP2LMNATP53MEN1KMT2A
SCHEMBL9766739 0.81 GPBAR1 (0.53) USP2LMNATP53MEN1KMT2A
SCHEMBL8408232 0.74 NPC1L1 (0.58) NPC1L1USP2LMNATP53MEN1
SCHEMBL10337844 0.74 NPC1L1 (0.58) NPC1L1USP2LMNATP53MEN1
SCHEMBL12125083 0.74 NPC1L1 (0.58) NPC1L1USP2LMNATP53MEN1
SCHEMBL9912381 0.74 NPC1L1 (0.58) NPC1L1USP2LMNATP53MEN1

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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