SCHEMBL8746644

SCHEMBL8746644

O=C(O)/C=C/c1ccc2ccccc2c1/C=C/C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NFKB1 P19838 1/20 0.49
CA4 P22748 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ERN1 O75460 1/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TBXA2R P21731 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGFR P43088 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
PTGDR Q13258 1/20 0.46
HDAC3 O15379 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
SCHEMBL30665841 0.89 KDM4E (0.46) KDM4ELMNACA1CA2NFKB1
SCHEMBL76919 0.89 KDM4E (0.46) KDM4ELMNACA1CA2NFKB1
SCHEMBL765995 0.83 CYP1B1 (0.54) KDM4ELMNACA1CA2NFKB1
SCHEMBL1614148 0.83 ERN1 (0.61) KDM4ECA1CA2NFKB1CA4
SCHEMBL765996 0.83 CYP1B1 (0.54) KDM4ELMNACA1CA2NFKB1
SCHEMBL1450843 0.83 ERN1 (0.61) KDM4ECA1CA2NFKB1CA4
SCHEMBL28492967 0.81 CYP1A2 (0.47) KDM4ELMNACA1CA2NFKB1
SCHEMBL7396138 0.81 MAOB (0.65) KDM4ELMNACA1CA2NFKB1
SCHEMBL7396139 0.81 MAOB (0.65) KDM4ELMNACA1CA2NFKB1
Acrylic Acid SCHEMBL7711610 0.81 KDM4E (0.40) KDM4ELMNACA1CA2NFKB1

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
EP-0644232-B1 Free radical cured rubber GOODYEAR TIRE & RUBBER (US) 1997-03-05 EP claimed