SCHEMBL9250798

SCHEMBL9250798

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OSBP P22059 3/20 0.50
▸ OSBP2 Q969R2 3/20 0.50
▸ NPC1L1 Q9UHC9 7/20 0.48
▸ NR1H3 Q13133 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
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ VDR P11473 4/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GPR183 P32249 3/20 0.41

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
SCHEMBL9250491 0.91 CDC25A (0.48) NPC1L1VDRUSP2
SCHEMBL9250800 0.82 NPC1L1 (0.56) OSBPOSBP2NPC1L1NR1H3CRYAB
SCHEMBL11651241 0.82 NFKB1 (0.43) OSBPOSBP2NPC1L1NFKB1NFKB2
SCHEMBL11651242 0.82 NFKB1 (0.43) OSBPOSBP2NPC1L1NFKB1NFKB2
SCHEMBL25339736 0.77 OSBP (0.57) OSBPOSBP2NPC1L1NR1H3CRYAB
SCHEMBL25338039 0.77 OSBP (0.57) OSBPOSBP2NPC1L1NR1H3CRYAB
SCHEMBL25338037 0.77 OSBP (0.57) OSBPOSBP2NPC1L1NR1H3CRYAB
SCHEMBL25339737 0.77 OSBP (0.57) OSBPOSBP2NPC1L1NR1H3CRYAB
SCHEMBL9250803 0.76 NPC1L1 (0.46) OSBPOSBP2NPC1L1NFKB1NFKB2
SCHEMBL18942518 0.76 NPC1L1 (0.71) OSBPOSBP2NPC1L1NR1H3CRYAB

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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