SCHEMBL9764452

SCHEMBL9764452

C=CCc1ccc(C(N)=O)c(C(N)=O)c1CC=C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
POLB P06746 1/20 0.32
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
MAPK1 P28482 1/20 0.31
PARP1 P09874 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8852216 0.87 KDM4E (0.36) KDM4EGABRA1GABRB2POLBJAK1
SCHEMBL486060 0.83 GABRA1 (0.40) KDM4EGABRA1GABRB2POLBJAK1
SCHEMBL14058648 0.80 KDM4E (0.42) KDM4EMAPK1PARP1MAPT
SCHEMBL7870129 0.78 GABRA1 (0.44) KDM4EGABRA1GABRB2JAK1TYK2
SCHEMBL8824319 0.78 GABRA1 (0.44) KDM4EGABRA1GABRB2JAK1TYK2
SCHEMBL18915 0.78 GAA (0.38) KDM4EGABRA1GABRB2POLBPTGDR
SCHEMBL28618628 0.77 GABRA1 (0.43) KDM4EGABRA1GABRB2JAK1TYK2
Water SCHEMBL3696709 0.77 GAA (0.37) KDM4EGABRA1GABRB2POLBPTGDR
SCHEMBL4316249 0.75 MAPK1 (0.36) KDM4EGABRA1GABRB2POLBJAK1
SCHEMBL1349070 0.74 GAA (0.39) KDM4EGABRA1GABRB2POLBPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3143942-A None JP disclosed
US-20120302704-A1 COPOLYMER COMPOSED OF A POLYPHENYLENE AND A FLEXIBLE CHAIN COMPONENT ROBERT BOSCH GMBH (DE) 2012-11-29 US disclosed
JP-H03143942-A RIGID VINYL CHLORIDE RESIN COMPOSITION SEKISUI CHEM CO LTD 1991-06-19 JP disclosed