SCHEMBL23282984

SCHEMBL23282984

CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(O)C(C)C)CC[C@@H]32)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.59
▸ USP2 O75604 1/20 0.59
▸ CDC25A P30304 2/20 0.58
▸ ABCC4 O15439 1/20 0.57
▸ POLA1 P09884 1/20 0.57
▸ GPBAR1 Q8TDU6 3/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ST6GAL1 P15907 2/20 0.55
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ HSD17B10 Q99714 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
SCHEMBL23282983 1.00 VDR (0.59) VDRUSP2CDC25AABCC4POLA1
SCHEMBL23282986 0.90 VDR (0.57) VDRUSP2CDC25AABCC4POLA1
SCHEMBL23282982 0.90 VDR (0.57) VDRUSP2CDC25AABCC4POLA1
SCHEMBL4735308 0.89 VDR (0.58) VDRUSP2CDC25AABCC4POLA1
SCHEMBL11530918 0.88 VDR (0.77) VDRUSP2CDC25AABCC4POLA1
SCHEMBL11530914 0.88 VDR (0.77) VDRUSP2CDC25AABCC4POLA1
SCHEMBL4740075 0.86 VDR (0.56) VDRUSP2CDC25AABCC4POLA1
SCHEMBL13017807 0.86 VDR (0.56) VDRUSP2CDC25AABCC4POLA1
SCHEMBL23805655 0.86 GPBAR1 (0.71) VDRUSP2GPBAR1CYP2C9HIF1A
SCHEMBL20367558 0.86 GPBAR1 (0.71) VDRUSP2GPBAR1CYP2C9HIF1A

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
EP-3812392-A1 OXYSTEROLS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2021-04-28 — — EP disclosed
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