SCHEMBL11246664

SCHEMBL11246664

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.48
SRD5A1 P18405 4/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
OSBP P22059 1/20 0.35
OSBP2 Q969R2 1/20 0.35
VDR P11473 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL11246663 0.85 SRD5A2 (0.47) SRD5A2SRD5A1GPBAR1NPC1L1OSBP
SCHEMBL9348037 0.83 SRD5A2 (0.51) SRD5A2SRD5A1GPBAR1NPC1L1OSBP
SCHEMBL9348309 0.83 SRD5A2 (0.51) SRD5A2SRD5A1GPBAR1NPC1L1OSBP
SCHEMBL9782796 0.82 SRD5A2 (0.59) SRD5A2SRD5A1GPBAR1NPC1L1VDR
SCHEMBL9822553 0.82 SRD5A2 (0.59) SRD5A2SRD5A1GPBAR1NPC1L1VDR
SCHEMBL9782666 0.74 OSBP (0.36) SRD5A2NPC1L1OSBPOSBP2VDR
SCHEMBL9782671 0.74 OSBP (0.36) SRD5A2NPC1L1OSBPOSBP2VDR
SCHEMBL9782729 0.74 GPBAR1 (0.39) GPBAR1OSBPOSBP2VDRGRIN1
SCHEMBL9348135 0.74 SRD5A2 (0.41) SRD5A2SRD5A1GPBAR1NPC1L1OSBP
SCHEMBL9348131 0.74 SRD5A2 (0.41) SRD5A2SRD5A1GPBAR1NPC1L1OSBP

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
US-4317817-A SKIN DISORDERS; ACEME; ENZYME INHIBITORS RICHARDSON-MERRELL INC. (US) 1982-03-02 US disclosed