SCHEMBL14732192

SCHEMBL14732192

O=C(O)c1ccc(CN(Cc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)[SH](=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.60
PTGES O14684 5/20 0.56
LPAR1 Q92633 9/20 0.52
LPAR5 Q9H1C0 9/20 0.52
ALOX5 P09917 3/20 0.52
LTA4H P09960 3/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14732137 0.82 LPAR1 (0.44) SRD5A2PTGESLPAR1LPAR5ALOX5
SCHEMBL8999835 0.81 SRD5A2 (0.78) SRD5A2
SCHEMBL11419154 0.77 SRD5A2 (0.71) SRD5A2PTGESALOX5
SCHEMBL14732164 0.77 LPAR1 (0.49) LPAR1LPAR5
SCHEMBL200428 0.75 SRD5A2 (0.88) SRD5A2LTA4H
SCHEMBL1888572 0.75 SRD5A2 (0.88) SRD5A2LTA4H
SCHEMBL6892687 0.75 SRD5A2 (0.88) SRD5A2LTA4H
SCHEMBL30307442 0.75 PARP15 (0.69) SRD5A2KMT2A
SCHEMBL2748100 0.75 PARP15 (0.69) SRD5A2KMT2A
SCHEMBL31202650 0.75 PARP15 (0.69) SRD5A2KMT2A

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-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US claimed