SCHEMBL18159036

SCHEMBL18159036

O=C(c1ccc(C#Cc2ccccc2)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 6/20 0.65
▸ FFAR1 O14842 2/20 0.56
▸ POLB P06746 1/20 0.54
▸ PARP10 Q53GL7 1/20 0.52
▸ HAO1 Q9UJM8 1/20 0.50
▸ ELANE P08246 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ACACB O00763 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ PPARG P37231 1/20 0.46

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
SCHEMBL9135237 0.98 SRD5A2 (0.68) SRD5A2FFAR1POLBPARP10HAO1
SCHEMBL8837213 0.92 MAPT (0.56) SRD5A2FFAR1POLBPARP10HAO1
SCHEMBL13059383 0.89 SRD5A2 (0.57) SRD5A2FFAR1POLBPARP10HAO1
SCHEMBL13567253 0.89 FFAR1 (0.56) SRD5A2FFAR1PARP10HAO1ACACB
SCHEMBL14584313 0.89 FFAR1 (0.56) SRD5A2FFAR1PARP10HAO1ACACB
SCHEMBL13567255 0.89 FFAR1 (0.56) SRD5A2FFAR1PARP10HAO1ACACB
SCHEMBL13085924 0.88 SRD5A2 (0.51) SRD5A2FFAR1POLBELANEACACB
SCHEMBL6368706 0.87 SRD5A2 (0.58) SRD5A2FFAR1POLBPARP10HAO1
SCHEMBL1744898 0.86 ALDH1A1 (0.64) SRD5A2FFAR1GAAALDH1A1
SCHEMBL12228189 0.86 CES2 (0.58) FFAR1POLBELANEGAAALDH1A1

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-20160304667-A1 POLYMERIC MATERIALS VICTREX MANUFACTURING LIMITED (GB) 2016-10-20 — — US disclosed
Send feedback