SCHEMBL9250800

SCHEMBL9250800

CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]4[C@@H]3CC(Br)C2(Br)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 12/20 0.56
▸ OSBP P22059 2/20 0.51
▸ OSBP2 Q969R2 2/20 0.51
▸ VDR P11473 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ NR1H3 Q13133 2/20 0.46
▸ CDC25A P30304 2/20 0.44
▸ CRYAB P02511 1/20 0.44
▸ HMGCR P04035 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ RORC P51449 1/20 0.44
▸ SREBF2 Q12772 1/20 0.44
▸ POLA1 P09884 1/20 0.44
▸ 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 0.43

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
Acebrochol SCHEMBL9250494 0.91 NPC1L1 (0.56) NPC1L1VDRUSP2CDC25APOLA1
Acebrochol SCHEMBL1006383 0.91 NPC1L1 (0.56) NPC1L1VDRUSP2CDC25APOLA1
Acebrochol SCHEMBL30009744 0.91 NPC1L1 (0.56) NPC1L1VDRUSP2CDC25APOLA1
SCHEMBL18942518 0.86 NPC1L1 (0.71) NPC1L1OSBPOSBP2USP2NR1H3
SCHEMBL6393234 0.84 NPC1L1 (0.56) NPC1L1OSBPOSBP2VDRUSP2
SCHEMBL11788002 0.84 NPC1L1 (0.56) NPC1L1OSBPOSBP2VDRUSP2
SCHEMBL21814362 0.83 NPC1L1 (0.62) NPC1L1VDRUSP2CDC25APOLA1
SCHEMBL21814361 0.83 NPC1L1 (0.62) NPC1L1VDRUSP2CDC25APOLA1
SCHEMBL9250798 0.82 OSBP (0.50) NPC1L1OSBPOSBP2VDRUSP2
SCHEMBL25334068 0.82 VDR (0.51) NPC1L1VDRUSP2NR1H3POLA1

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
US-5395953-A Method of preparing hydrindane compounds and hydrindane-related compounds DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-03-07 — — US disclosed
EP-0594229-A1 Method of preparing hydrindane compounds and hydrindane-related compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1994-04-27 — — EP disclosed
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