SCHEMBL16108686

SCHEMBL16108686

Cc1ccc(C2OC2(C)C(=O)OC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
ITGA5 P08648 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 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
SCHEMBL16109495 0.94 CHRNA1 (0.41) SCN1ASCN2ASCN3ACHRNA1CHRNG
SCHEMBL16109509 0.94 TP53 (0.39) SCN1ASCN2ASCN3ACHRNA1CHRNG
SCHEMBL16110307 0.93 TP53 (0.40) SCN1ASCN2ASCN3ACHRNA1CHRNG
SCHEMBL14967810 0.87 CHRM3 (0.39) POLBALDH1A1MAPTCYP2C9LMNA
SCHEMBL16110628 0.86 MEN1 (0.43) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL16108807 0.84 TDP1 (0.39) ALDH1A1TP53CYP3A4CYP2C9PKM
SCHEMBL16110306 0.82 OPRM1 (0.40) ALDH1A1MAPTPKMLMNASMN1; SMN2
SCHEMBL14967843 0.82 SCN1A (0.36) SCN1ASCN2ASCN3ACHRNA1CHRNG
SCHEMBL14967905 0.81 FABP7 (0.42) ALDH1A1MAPTCYP3A4RAB9AALOX15
SCHEMBL14968109 0.81 FABP7 (0.45) ALDH1A1MAPTTP53CYP3A4LMNA

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 5 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