SCHEMBL14967934

SCHEMBL14967934

COc1ccc(C2(C(=O)OC(C)(C)C)OC23CCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 2/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35

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 0.97 CYP3A4 (0.41) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14968200 0.96 SLC6A4 (0.42) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14967473 0.86 OPRM1 (0.34) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14968066 0.86 ALDH1A1 (0.43) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14967774 0.85 SMN1; SMN2 (0.36) ALDH1A1ATMSMN1; SMN2
SCHEMBL14968351 0.84 MAPT (0.36) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14967509 0.83 KDM4E (0.46) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14967944 0.83 MAPT (0.36) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14967750 0.82 SLC6A4 (0.46) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL14966595 0.82 AKR1C1 (0.39) CYP3A4ALDH1A1KDM4ELMNAPOLB

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