SCHEMBL25337599

SCHEMBL25337599

CC(CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3C(O)CC4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OSBP P22059 3/20 0.59
▸ OSBP2 Q969R2 3/20 0.59
▸ NPC1L1 Q9UHC9 4/20 0.56
▸ GPR183 P32249 3/20 0.56
▸ GPBAR1 Q8TDU6 9/20 0.55
▸ NR1H4 Q96RI1 4/20 0.55
▸ CRYAB P02511 1/20 0.51
▸ HMGCR P04035 1/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGAV P06756 1/20 0.51
▸ RORC P51449 1/20 0.51
▸ SREBF2 Q12772 1/20 0.51
▸ NR1H3 Q13133 1/20 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
SCHEMBL25337268 1.00 OSBP (0.59) OSBPOSBP2NPC1L1GPR183GPBAR1
SCHEMBL25339858 0.87 OSBP (0.70) OSBPOSBP2NPC1L1GPR183CRYAB
SCHEMBL25337771 0.87 OSBP (0.70) OSBPOSBP2NPC1L1GPR183CRYAB
SCHEMBL6387168 0.84 GPBAR1 (0.78) OSBPOSBP2GPBAR1NR1H4
SCHEMBL7053762 0.84 GPBAR1 (0.78) OSBPOSBP2GPBAR1NR1H4
SCHEMBL13456224 0.84 GPBAR1 (0.78) OSBPOSBP2GPBAR1NR1H4
SCHEMBL25338757 0.84 GPBAR1 (0.78) OSBPOSBP2GPBAR1NR1H4
SCHEMBL25337907 0.84 GPBAR1 (0.78) OSBPOSBP2GPBAR1NR1H4
SCHEMBL11496955 0.83 GPBAR1 (0.70) OSBPOSBP2GPBAR1NR1H4
SCHEMBL25336190 0.83 OSBP (0.64) OSBPOSBP2NPC1L1GPR183GPBAR1

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