SCHEMBL14967686

SCHEMBL14967686

CC1(C(=O)OC2CCCCC2)OC12CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 2/20 0.38
CHRM3 P20309 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
NAAA Q02083 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 2/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 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
SCHEMBL14967925 1.00 CYP2C19 (0.42) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL14967320 1.00 CYP2C19 (0.42) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL14967827 0.98 CYP2C19 (0.40) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL14968045 0.97 CYP2C19 (0.39) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL14968104 0.97 CYP2C19 (0.39) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL14967838 0.95 CHRM3 (0.37) CYP2C19EPHX1CHRM3MAPTSMN1; SMN2
SCHEMBL14967288 0.95 CYP2C19 (0.37) CYP2C19EPHX1CHRM3MAPTNAAA
SCHEMBL14967210 0.95 CYP2C19 (0.37) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL14968067 0.93 CHRM3 (0.35) CYP2C19CHRM3MAPTNPSR1
SCHEMBL14968288 0.92 CYP2C19 (0.33) CYP2C19EPHX1CHRM3NAAA

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 9 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 claimed
US-20160340447-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-11-24 US claimed
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