SCHEMBL5533189

SCHEMBL5533189

O=C(C(=O)c1cc(C#Cc2ccccc2)cc(C#Cc2ccccc2)c1)c1ccc(Oc2ccc(C#Cc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
CES2 O00748 3/20 0.45
CES1 P23141 2/20 0.45
PARP10 Q53GL7 2/20 0.45
HAO1 Q9UJM8 1/20 0.45
SRD5A2 P31213 2/20 0.44
ACACB O00763 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
POLB P06746 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HNF4A P41235 1/20 0.41

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
SCHEMBL13567253 0.92 FFAR1 (0.56) FFAR1CES2CES1PARP10HAO1
SCHEMBL13567255 0.92 FFAR1 (0.56) FFAR1CES2CES1PARP10HAO1
SCHEMBL14584313 0.92 FFAR1 (0.56) FFAR1CES2CES1PARP10HAO1
SCHEMBL11127634 0.88 FFAR1 (0.49) FFAR1CES2CES1PARP10HAO1
SCHEMBL5535660 0.87 FFAR1 (0.40) FFAR1CES2CES1PARP10HAO1
SCHEMBL4196818 0.87 CES2 (0.52) FFAR1CES2CES1ASIC3HNF4A
SCHEMBL4192928 0.86 CTNNB1 (0.43) FFAR1CES2CES1PARP10HAO1
SCHEMBL4848452 0.85 CES2 (0.56) FFAR1CES2CES1HNF4A
SCHEMBL10732308 0.83 AKR1C3 (0.54) FFAR1CES2CES1PARP10HAO1
SCHEMBL5669441 0.83 SRD5A2 (0.57) FFAR1PARP10HAO1SRD5A2POLB

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-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US disclosed