SCHEMBL9250491

SCHEMBL9250491

CC(=O)OC1CCCC2(Br)C(Br)C[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]12C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 8/20 0.48
▸ POLA1 P09884 1/20 0.48
▸ FNTA P49354 3/20 0.47
▸ FNTB P49356 3/20 0.47
▸ CDC25B P30305 3/20 0.47
▸ USP2 O75604 3/20 0.47
▸ NPC1L1 Q9UHC9 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ VDR P11473 1/20 0.45
▸ INPP5D Q92835 1/20 0.45

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
SCHEMBL9250798 0.91 OSBP (0.50) USP2NPC1L1VDR
Acebrochol SCHEMBL9250494 0.81 NPC1L1 (0.56) CDC25APOLA1FNTAFNTBUSP2
Acebrochol SCHEMBL1006383 0.81 NPC1L1 (0.56) CDC25APOLA1FNTAFNTBUSP2
Acebrochol SCHEMBL30009744 0.81 NPC1L1 (0.56) CDC25APOLA1FNTAFNTBUSP2
SCHEMBL11318380 0.80 CDC25A (0.51) CDC25APOLA1FNTAFNTBCDC25B
SCHEMBL11318351 0.80 CDC25A (0.51) CDC25APOLA1FNTAFNTBCDC25B
SCHEMBL11651242 0.79 NFKB1 (0.43) CDC25APOLA1FNTAFNTBUSP2
SCHEMBL11651241 0.79 NFKB1 (0.43) CDC25APOLA1FNTAFNTBUSP2
SCHEMBL4739368 0.77 CDC25A (0.57) CDC25APOLA1FNTAFNTBCDC25B
SCHEMBL4740626 0.77 CDC25A (0.57) CDC25APOLA1FNTAFNTBCDC25B

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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