SCHEMBL25339858

SCHEMBL25339858

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OSBP P22059 3/20 0.70
▸ OSBP2 Q969R2 3/20 0.70
▸ NPC1L1 Q9UHC9 6/20 0.57
▸ NR1H3 Q13133 2/20 0.57
▸ CRYAB P02511 1/20 0.57
▸ HMGCR P04035 1/20 0.57
▸ ITGB3 P05106 1/20 0.57
▸ ITGAV P06756 1/20 0.57
▸ RORC P51449 1/20 0.57
▸ SREBF2 Q12772 1/20 0.57
▸ PTPN1 P18031 1/20 0.53
▸ GPR183 P32249 5/20 0.52
▸ VDR P11473 3/20 0.52
▸ GRIN1 Q05586 2/20 0.51
▸ GRIN2A Q12879 2/20 0.51
▸ GRIN2B Q13224 2/20 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
SCHEMBL25337771 1.00 OSBP (0.70) OSBPOSBP2NPC1L1NR1H3CRYAB
SCHEMBL25336826 0.89 OSBP (0.67) OSBPOSBP2NPC1L1NR1H3CRYAB
SCHEMBL7117472 0.87 NPC1L1 (0.66) OSBPOSBP2NPC1L1RORCPTPN1
SCHEMBL16226011 0.87 NPC1L1 (0.66) OSBPOSBP2NPC1L1RORCPTPN1
SCHEMBL7117470 0.87 NPC1L1 (0.66) OSBPOSBP2NPC1L1RORCPTPN1
SCHEMBL16225645 0.87 NPC1L1 (0.66) OSBPOSBP2NPC1L1RORCPTPN1
SCHEMBL16226436 0.87 NPC1L1 (0.66) OSBPOSBP2NPC1L1RORCPTPN1
SCHEMBL16225777 0.87 NPC1L1 (0.66) OSBPOSBP2NPC1L1RORCPTPN1
SCHEMBL25336190 0.87 OSBP (0.64) OSBPOSBP2NPC1L1NR1H3CRYAB
SCHEMBL25337599 0.87 OSBP (0.59) 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 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