SCHEMBL14968200

SCHEMBL14968200

COc1ccc(C2(C(=O)OC(C)(C)C)OC23CCCCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.37
FAAH O00519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL14967508 0.99 CYP3A4 (0.41) SLC6A4SLC6A3CYP3A4CYP2C19ALDH1A1
SCHEMBL14967934 0.96 CYP3A4 (0.39) SLC6A4SLC6A3CYP3A4CYP2C19ALDH1A1
SCHEMBL14967944 0.87 MAPT (0.36) SLC6A4SLC6A3CYP3A4CYP2C19ALDH1A1
SCHEMBL14967750 0.87 SLC6A4 (0.46) SLC6A4SLC6A3CYP3A4CYP2C19ALDH1A1
SCHEMBL14967469 0.85 AKR1C1 (0.38) CYP3A4CYP2C19ALDH1A1FAAHMAPK1
SCHEMBL14968351 0.85 MAPT (0.36) SLC6A4SLC6A3CYP3A4CYP2C19ALDH1A1
SCHEMBL14967509 0.85 KDM4E (0.46) SLC6A4SLC6A3CYP3A4CYP2C19ALDH1A1
SCHEMBL14966595 0.84 AKR1C1 (0.39) CYP3A4ALDH1A1KDM4ELMNATDP1
SCHEMBL14967473 0.83 OPRM1 (0.34) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14968066 0.82 ALDH1A1 (0.43) SLC6A4SLC6A3CYP3A4CYP2C19ALDH1A1

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