SCHEMBL27686552

SCHEMBL27686552

O=C(O)/C=C/C(=O)Oc1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
POLB P06746 1/20 0.47
HCAR2 Q8TDS4 6/20 0.46
LPAR1 Q92633 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
BCHE P06276 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL27686557 1.00 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBHCAR2
SCHEMBL689426 0.93 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL689425 0.93 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL689595 0.93 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1
Phenyl Fumarate SCHEMBL28538092 0.85 HCAR2 (0.53) ESR1ESR2HCAR2MEN1KMT2A
SCHEMBL8401389 0.84 CYP3A4 (0.56) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL29331106 0.84 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBHCAR2
SCHEMBL14800036 0.82 KDM4E (0.59) POLBHCAR2MEN1KMT2AKDM4E
Phenyl Fumarate SCHEMBL528592 0.81 HCAR2 (0.55) HCAR2MEN1KMT2AKDM4EALDH1A1
Phenyl Fumarate SCHEMBL529210 0.81 HCAR2 (0.55) HCAR2MEN1KMT2AKDM4EALDH1A1

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
CN-101076457-B Pneumatic tire BRIDGESTONE CORP 2011-07-27 CN disclosed
CN-101076457-A Pneumatic tire BRIDGESTONE CORP (JP) 2007-11-21 CN disclosed