SCHEMBL9580391

SCHEMBL9580391

CCCC[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 4/20 0.59
▸ IGF1R P08069 1/20 0.55
▸ MET P08581 1/20 0.55
▸ SRC P12931 1/20 0.55
▸ AXL P30530 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ MAP2K1 Q02750 1/20 0.55
▸ PTK2 Q05397 1/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ ALK Q9UM73 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CDC25A P30304 3/20 0.55
▸ CDC25B P30305 1/20 0.55
▸ INPP5D Q92835 1/20 0.54
▸ SRD5A1 P18405 3/20 0.52
▸ SRD5A2 P31213 3/20 0.52
▸ FNTA P49354 2/20 0.52
▸ FNTB P49356 2/20 0.52
▸ USP2 O75604 3/20 0.51

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
SCHEMBL9580097 0.95 NPC1L1 (0.60) NPC1L1IGF1RMETSRCAXL
SCHEMBL9580104 0.95 NPC1L1 (0.60) NPC1L1IGF1RMETSRCAXL
SCHEMBL9580355 0.95 NPC1L1 (0.60) NPC1L1IGF1RMETSRCAXL
SCHEMBL9580360 0.95 NPC1L1 (0.60) NPC1L1IGF1RMETSRCAXL
SCHEMBL17817535 0.90 NPC1L1 (0.62) NPC1L1IGF1RMETSRCAXL
SCHEMBL17817525 0.90 NPC1L1 (0.62) NPC1L1IGF1RMETSRCAXL
SCHEMBL16225645 0.84 NPC1L1 (0.66) NPC1L1CYP2D6CYP2C19CDC25ACDC25B
SCHEMBL16225777 0.84 NPC1L1 (0.66) NPC1L1CYP2D6CYP2C19CDC25ACDC25B
SCHEMBL7117472 0.84 NPC1L1 (0.66) NPC1L1CYP2D6CYP2C19CDC25ACDC25B
SCHEMBL16226011 0.84 NPC1L1 (0.66) NPC1L1CYP2D6CYP2C19CDC25ACDC25B

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-0562849-A2 Steroid derivatives ELI LILLY AND COMPANY (US) 1993-09-29 — — EP claimed
EP-0562849-A2 Steroid derivatives ELI LILLY AND COMPANY (US) 1993-09-29 — — EP disclosed
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