SCHEMBL3935191

SCHEMBL3935191

C=CC=C(C(=O)O)c1ccccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
PPIA P62937 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CXCR2 P25025 1/20 0.33
HSD11B1 P28845 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KAT6A Q92794 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AKR1C1 Q04828 1/20 0.33
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL3935182 1.00 POLB (0.38) POLBLMNAKDM4EGAAPPIA
SCHEMBL3009389 0.74 LMNA (0.42) POLBLMNAKDM4EGAAPPIA
SCHEMBL8065818 0.73 POLB (0.44) POLBLMNAKDM4EGAAPPIA
SCHEMBL15180831 0.73 POLB (0.44) POLBLMNAKDM4EGAAPPIA
SCHEMBL29365220 0.73 ALDH1A1 (0.56) POLBLMNAKDM4EGAAPPIA
SCHEMBL180853 0.73 ALDH1A1 (0.56) POLBLMNAKDM4EGAAPPIA
SCHEMBL587841 0.72 CYP1A2 (0.56) KDM4EALDH1A1HPGDTDP1MAPT
SCHEMBL9116375 0.72 LMNA (0.36) POLBLMNAKDM4EGAAALDH1A1
SCHEMBL9116385 0.72 LMNA (0.36) POLBLMNAKDM4EGAAALDH1A1
SCHEMBL11398928 0.72 ESR1 (0.32) POLBLMNAKDM4EGAAPPIA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046748-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-15 EP disclosed
WO-2007147822-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO disclosed