SCHEMBL7142127

SCHEMBL7142127

COc1ccc(C2OC2C(=O)OC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EDNRA P25101 2/20 0.41
EDNRB P24530 1/20 0.41
BACE1 P56817 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7142138 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL6227267 0.87 ALDH1A1 (0.44) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL14967720 0.86 TSHR (0.50) HPGDCYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL14967702 0.85 TSHR (0.61) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL7141149 0.83 BACE1 (0.52) SMN1; SMN2NPC1HPGDRAB9ASLC6A2
SCHEMBL8856846 0.83 BACE1 (0.52) SMN1; SMN2NPC1HPGDRAB9ASLC6A2
SCHEMBL3201279 0.83 BACE1 (0.52) SMN1; SMN2NPC1HPGDRAB9ASLC6A2
SCHEMBL8503544 0.83 BACE1 (0.52) SMN1; SMN2NPC1HPGDRAB9ASLC6A2
SCHEMBL3201276 0.83 BACE1 (0.52) SMN1; SMN2NPC1HPGDRAB9ASLC6A2
SCHEMBL8573735 0.83 BACE1 (0.52) SMN1; SMN2NPC1HPGDRAB9ASLC6A2

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 13 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
US-6521445-B1 Stereoselective ester hydrolysis of racemic trans-3-(4-methoxyphenyl) glycidic acid ester using a hydrolase enzyme; resolution; diltiazem production SEPRACOR, INC. 2003-02-18 US disclosed
EP-0657544-B1 Process for preparing optically active glycidate esters SEPRACOR INC (US) 1997-12-29 EP disclosed
US-5274300-A Patent withdrawn after O.G. published SEPRACOR, INC. (US) 1993-12-28 US disclosed
EP-0440723-A4 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS 1992-05-20 EP disclosed
EP-0440723-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS. SEPRACOR INC (US) 1991-08-14 EP disclosed
WO-1990004643-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS SEPRACOR, INC. (US) 1990-05-03 WO disclosed