SCHEMBL14976644

SCHEMBL14976644

CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@H]4[C@@H]3CC3OC32C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.50
▸ VDR P11473 1/20 0.50
▸ NPC1L1 Q9UHC9 6/20 0.44
▸ POLA1 P09884 1/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CDC25A P30304 1/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ST6GAL1 P15907 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
SCHEMBL16163667 1.00 USP2 (0.50) USP2VDRNPC1L1POLA1TOP2A
SCHEMBL6300887 0.90 NPC1L1 (0.55) USP2VDRNPC1L1POLA1MEN1
SCHEMBL6303110 0.90 NPC1L1 (0.55) USP2VDRNPC1L1POLA1MEN1
SCHEMBL6300889 0.90 NPC1L1 (0.55) USP2VDRNPC1L1POLA1MEN1
SCHEMBL9133868 0.90 NPC1L1 (0.55) USP2VDRNPC1L1POLA1MEN1
SCHEMBL16163620 0.90 NPC1L1 (0.55) USP2VDRNPC1L1POLA1MEN1
SCHEMBL26333487 0.88 VDR (0.53) USP2VDRNPC1L1POLA1TOP2A
SCHEMBL1312863 0.87 NPC1L1 (0.55) USP2VDRNPC1L1POLA1TOP2A
SCHEMBL9542522 0.80 CYP19A1 (0.39) MEN1LMNATP53KMT2AMAPT
SCHEMBL9542528 0.80 CYP19A1 (0.39) MEN1LMNATP53KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782923-A1 PROCESS FOR THE PREPARATION OF STEROL DERIVATIVES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2014-10-01 — — EP disclosed
WO-2013076257-A1 PROCESS FOR THE PREPARATION OF STEROL DERIVATIVES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2013-05-30 — — WO disclosed
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