SCHEMBL14967646

SCHEMBL14967646

CCC1OC1(CC)C(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
NAAA Q02083 2/20 0.40
CYP2C19 P33261 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
CYP19A1 P11511 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL14966657 0.98 EPHX1 (0.40) EPHX1NAAACYP2C19HTTSMN1; SMN2
SCHEMBL14967312 0.95 EPHX1 (0.37) EPHX1NAAACYP2C19HTT
SCHEMBL14966764 0.92 EPHX1 (0.32) EPHX1NAAACYP19A1
SCHEMBL14968298 0.79 EPHX1 (0.44) EPHX1NAAACYP2C19HTTSMN1; SMN2
SCHEMBL14967647 0.78
SCHEMBL14967927 0.78 EPHX1 (0.41) EPHX1NAAACYP2C19HTTSMN1; SMN2
SCHEMBL14967611 0.74 EPHX1 (0.38) EPHX1NAAACYP2C19HTT
SCHEMBL14968131 0.74 FABP7 (0.44) EPHX1ALDH1A1L3MBTL1
SCHEMBL14967997 0.73 TP53 (0.38) EPHX1SMN1; SMN2CYP19A1MAPK1ALDH1A1
SCHEMBL14967732 0.72 EPHX1 (0.46) EPHX1NAAACYP2C19HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301397-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2019-05-28 US disclosed
US-20160340447-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-11-24 US disclosed
US-9458270-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2016-10-04 US disclosed
EP-2780177-B1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORP (JP) 2016-03-23 EP disclosed
US-20140296445-A1 Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow BRIDGESTONE CORPORATION (JP) 2014-10-02 US disclosed
EP-2780177-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW Bridgestone Corporation (JP) 2014-09-24 EP disclosed
WO-2013075074-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2013-05-23 WO disclosed