SCHEMBL14968327

SCHEMBL14968327

COC(=O)C1(c2ccc(C)cc2)OC12CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
OPRM1 P35372 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 1/20 0.36
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL14966832 0.98 CYP3A4 (0.41) CYP3A4CYP2C9PKMCYP2C19MAPT
SCHEMBL14967244 0.97 CYP3A4 (0.42) CYP3A4CYP2C9PKMCYP2C19MAPT
SCHEMBL14967509 0.87 KDM4E (0.46) CYP3A4CYP2C9CYP2C19MAPTKDM4E
SCHEMBL14968268 0.86 MEN1 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14967465 0.86 CHRM3 (0.39) CYP3A4CYP2C9PKMCYP2C19MAPT
SCHEMBL14967712 0.85 OPRM1 (0.49) MAPTALDH1A1SMN1; SMN2OPRM1TDP1
SCHEMBL14968196 0.85 ABHD10 (0.37) CYP3A4CYP2C9PKMCYP2C19MAPT
SCHEMBL14967750 0.85 SLC6A4 (0.46) CYP3A4CYP2C19MAPTKDM4EHPGD
SCHEMBL14967505 0.85 MEN1 (0.45) CYP3A4KDM4EALDH1A1
SCHEMBL14967022 0.85 CHRM3 (0.41) MAPTKDM4EHPGDALDH1A1SMN1; 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 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