SCHEMBL25337296

SCHEMBL25337296

COC(=O)CCCC(C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4(O)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 12/20 0.64
▸ USP2 O75604 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ VDR P11473 2/20 0.50
▸ GPBAR1 Q8TDU6 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ NR1H3 Q13133 1/20 0.44

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
SCHEMBL25336778 0.91 NPC1L1 (0.53) NPC1L1USP2MEN1LMNATP53
SCHEMBL25336776 0.91 NPC1L1 (0.53) NPC1L1USP2MEN1LMNATP53
SCHEMBL25334068 0.89 VDR (0.51) NPC1L1USP2MEN1LMNATP53
SCHEMBL25334071 0.89 VDR (0.51) NPC1L1USP2MEN1LMNATP53
SCHEMBL19293662 0.87 VDR (0.54) NPC1L1USP2MEN1LMNATP53
SCHEMBL25334704 0.86 VDR (0.54) NPC1L1USP2VDRGPBAR1CYP2C9
SCHEMBL25334706 0.86 VDR (0.54) NPC1L1USP2VDRGPBAR1CYP2C9
SCHEMBL11698326 0.84 NPC1L1 (0.60) NPC1L1USP2MEN1LMNATP53
SCHEMBL19293667 0.84 GPBAR1 (0.54) NPC1L1USP2MEN1LMNATP53
SCHEMBL17379915 0.84 VDR (0.56) NPC1L1USP2MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143399-A1 STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 珂阑(上海)医药科技有限公司 2023-08-03 — — WO disclosed
Send feedback