SCHEMBL11246663

SCHEMBL11246663

CC(C)C(C)(C)[SiH2]OC[C@H](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 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.47
GPBAR1 Q8TDU6 2/20 0.38
SRD5A1 P18405 4/20 0.36
NPC1L1 Q9UHC9 2/20 0.35
OSBP P22059 2/20 0.35
OSBP2 Q969R2 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
PSENEN Q9NZ42 1/20 0.34
MEN1 O00255 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
SCHEMBL11246664 0.85 SRD5A2 (0.48) SRD5A2GPBAR1SRD5A1NPC1L1OSBP
SCHEMBL11237662 0.74 SRD5A2 (0.35) SRD5A2SRD5A1
SCHEMBL11237658 0.74 SRD5A2 (0.35) SRD5A2SRD5A1
SCHEMBL11250190 0.72 NPC1L1 (0.68) GPBAR1NPC1L1MEN1LMNAKMT2A
SCHEMBL11240576 0.72 GPBAR1 (0.45) SRD5A2GPBAR1SRD5A1NPC1L1AKR1B10
SCHEMBL16846107 0.71 SRD5A2 (0.51) SRD5A2GPBAR1SRD5A1LMNA
SCHEMBL9348309 0.71 SRD5A2 (0.51) SRD5A2GPBAR1SRD5A1NPC1L1OSBP
SCHEMBL9348037 0.69 SRD5A2 (0.51) SRD5A2GPBAR1SRD5A1NPC1L1OSBP
SCHEMBL9822569 0.69 SRD5A2 (0.74) SRD5A2GPBAR1SRD5A1AKR1B10AKR1B1
SCHEMBL9782796 0.68 SRD5A2 (0.59) SRD5A2GPBAR1SRD5A1NPC1L1NR1H3

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