SCHEMBL9348135

SCHEMBL9348135

C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(F)=C(P(=O)(O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.41
GPBAR1 Q8TDU6 3/20 0.37
SRD5A1 P18405 3/20 0.36
NPC1L1 Q9UHC9 1/20 0.35
VDR P11473 2/20 0.35
OSBP P22059 1/20 0.35
OSBP2 Q969R2 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
FGF2 P09038 1/20 0.35
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
EFNA1 P20827 1/20 0.34
EPHA2 P29317 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 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
SCHEMBL9348131 1.00 SRD5A2 (0.41) SRD5A2GPBAR1SRD5A1NPC1L1VDR
SCHEMBL9349226 0.91 SRD5A2 (0.39) SRD5A2GPBAR1SRD5A1NPC1L1VDR
SCHEMBL9822544 0.85 SRD5A2 (0.47) SRD5A2GPBAR1SRD5A1NPC1L1VDR
SCHEMBL9822547 0.85 SRD5A2 (0.47) SRD5A2GPBAR1SRD5A1NPC1L1VDR
SCHEMBL9349187 0.84 SRD5A2 (0.53) SRD5A2GPBAR1SRD5A1NPC1L1AKR1B10
SCHEMBL9349191 0.84 SRD5A2 (0.53) SRD5A2GPBAR1SRD5A1NPC1L1AKR1B10
SCHEMBL9349181 0.84 SRD5A2 (0.53) SRD5A2GPBAR1SRD5A1NPC1L1AKR1B10
SCHEMBL9349319 0.82 SRD5A1 (0.39) SRD5A2GPBAR1SRD5A1NPC1L1VDR
SCHEMBL9348037 0.80 SRD5A2 (0.51) SRD5A2GPBAR1SRD5A1NPC1L1VDR
SCHEMBL9782666 0.79 OSBP (0.36) SRD5A2NPC1L1VDROSBPOSBP2

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-0375351-B1 Phosphonic acid substituted steroids as steroid 5alpha-reductase inhibitors SMITHKLINE BEECHAM CORP (US) 1994-08-31 EP disclosed
US-4946834-A ACRYLATE ANALOGUES OF STEROIDAL SYNTHETIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1990-08-07 US disclosed