SCHEMBL18508033

SCHEMBL18508033

CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4[C@H](C)CO)[C@@H]3CC[C@@H]2C1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.78
▸ USP2 O75604 1/20 0.78
▸ ST6GAL1 P15907 1/20 0.60
▸ CDC25A P30304 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ABCC4 O15439 1/20 0.58
▸ POLA1 P09884 1/20 0.58
▸ DHCR24 Q15392 1/20 0.57
▸ GRIN1 Q05586 1/20 0.57
▸ GRIN2B Q13224 1/20 0.57

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
SCHEMBL26753756 0.92 VDR (0.81) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL15043312 0.90 VDR (0.76) VDRUSP2ST6GAL1CDC25AALDH1A1
SCHEMBL7758755 0.90 VDR (0.76) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL15976037 0.90 VDR (0.79) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL12192042 0.89 VDR (0.81) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL26753754 0.89 VDR (0.81) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL18576366 0.89 VDR (0.81) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL11453881 0.89 VDR (0.80) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL11467719 0.89 VDR (0.80) VDRUSP2ST6GAL1CDC25AABCC4
SCHEMBL11472581 0.89 VDR (0.80) VDRUSP2ST6GAL1CDC25AABCC4

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-2017027396-A1 METHODS FOR PREPARATION OF BILE ACIDS AND DERIVATIVES THEREOF INTERCEPT PHARMACEUTICALS, INC. (US) 2017-02-16 — — WO disclosed
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