SCHEMBL9814584

SCHEMBL9814584

CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 9/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ P2RY12 Q9H244 2/20 0.41
▸ GPBAR1 Q8TDU6 3/20 0.40
▸ GRIN2A Q12879 1/20 0.36
▸ POLA1 P09884 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ TOP2B Q02880 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL9814759 0.87 P2RY12 (0.41) NPC1L1LMNAMEN1USP2TP53
SCHEMBL9814676 0.82 NPC1L1 (0.39) NPC1L1LMNAMEN1USP2TP53
SCHEMBL14005008 0.80 NPC1L1 (0.45) NPC1L1LMNAMEN1USP2TP53
SCHEMBL10821097 0.79 NPC1L1 (0.43) NPC1L1LMNAMEN1USP2TP53
SCHEMBL10821098 0.79 NPC1L1 (0.43) NPC1L1LMNAMEN1USP2TP53
SCHEMBL9814579 0.79 GRIN2B (0.36) NPC1L1LMNAMEN1USP2TP53
SCHEMBL10874327 0.78 NPC1L1 (0.40) NPC1L1LMNAMEN1USP2TP53
SCHEMBL9814503 0.78 NPC1L1 (0.40) NPC1L1LMNAMEN1USP2TP53
SCHEMBL20855323 0.78 GPBAR1 (0.45) NPC1L1LMNAMEN1USP2TP53
SCHEMBL1885890 0.78 GPBAR1 (0.45) NPC1L1LMNAMEN1USP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201042-B1 3ALPHA,5-CYCLO-22,23-DIHYDROXY-5ALPHA,STEROID COMPOUNDS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1991-08-28 — — EP claimed
US-4861875-A 3α,5-cyclo-22,23-dihydroxy-5α-steroid compounds FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1989-08-29 — — US claimed
EP-0201042-A2 3alpha,5-Cyclo-22,23-dihydroxy-5alpha,steroid compounds FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1986-11-12 — — EP claimed
EP-0201042-B1 3ALPHA,5-CYCLO-22,23-DIHYDROXY-5ALPHA,STEROID COMPOUNDS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1991-08-28 — — EP disclosed
US-4861875-A 3α,5-cyclo-22,23-dihydroxy-5α-steroid compounds FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1989-08-29 — — US disclosed
EP-0201042-A2 3alpha,5-Cyclo-22,23-dihydroxy-5alpha,steroid compounds FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1986-11-12 — — EP disclosed
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