SCHEMBL4542072

SCHEMBL4542072

C=CCC=C(C)C(=O)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
NAAA Q02083 2/20 0.38
HTT P42858 3/20 0.37
CYP2C19 P33261 1/20 0.36
CYP19A1 P11511 4/20 0.36
GPR35 Q9HC97 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.31
FABP7 O15540 1/20 0.31

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
SCHEMBL29117589 0.81 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29276362 0.81 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL2987394 0.81 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL27869151 0.81 EPHX1 (0.39) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL632278 0.79 EPHX1 (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL27085758 0.78 EPHX1 (0.42) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL28264245 0.78 NAAA (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29117702 0.78 NAAA (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL27593606 0.77 EPHX1 (0.41) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL1009293 0.77 EPHX1 (0.41) EPHX1NAAAHTTCYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019784-A4 TRANSPARENT POLYCARBONATE BLEND ARKEMA INC (US) 2009-09-09 EP disclosed
US-20090142537-A1 TRANSPARENT POLYCARBONATE BLEND ARKEMA INC (US) 2009-06-04 US disclosed
EP-2019784-A1 TRANSPARENT POLYCARBONATE BLEND Arkema Inc. (US) 2009-02-04 EP disclosed
WO-2007140100-A1 TRANSPARENT POLYCARBONATE BLEND ARKEMA INC. (US) 2007-12-06 WO disclosed