SCHEMBL14967207

SCHEMBL14967207

Cc1ccc(C2OC2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
EPHX1 P07099 4/20 0.40
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ABCB1 P08183 1/20 0.35
RECQL P46063 1/20 0.34
ADORA2B P29275 2/20 0.33
HDAC4 P56524 1/20 0.33
CACNA1D Q01668 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
SCHEMBL16303826 0.87 TSHR (0.61) TSHREPHX1KMT2AHPGDMEN1
SCHEMBL7770452 0.87 TSHR (0.61) TSHREPHX1KMT2AHPGDMEN1
SCHEMBL7772636 0.87 TSHR (0.61) TSHREPHX1KMT2AHPGDMEN1
SCHEMBL9488854 0.87 TSHR (0.61) TSHREPHX1KMT2AHPGDMEN1
SCHEMBL14967144 0.86 TSHR (0.45) TSHRHPGDTP53ALDH1A1LMNA
SCHEMBL7760857 0.86 TSHR (0.45) TSHRHPGDTP53ALDH1A1LMNA
SCHEMBL7776125 0.86 EPHX1 (0.53) TSHREPHX1KMT2AHPGDMEN1
SCHEMBL7902731 0.81 TSHR (0.54) TSHREPHX1KMT2AHPGDMEN1
SCHEMBL7906596 0.81 TSHR (0.54) TSHREPHX1KMT2AHPGDMEN1
SCHEMBL7906590 0.81 TSHR (0.54) TSHREPHX1KMT2AHPGDMEN1

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