SCHEMBL16108652

SCHEMBL16108652

COc1ccc(C2(C)OC2C(=O)OC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL14966836 0.85 ABHD10 (0.39) L3MBTL1SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL9692259 0.85 ATM (0.50) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14966744 0.84 HPGD (0.44) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL14967441 0.84 TSHR (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11809472 0.81 PTGS1 (0.38) CYP2C9MMP1MMP2MMP9
SCHEMBL8776897 0.80 HSD11B1 (0.44) HPGDNPC1RAB9AL3MBTL1ATM
SCHEMBL9750487 0.80 HSD11B1 (0.44) HPGDNPC1RAB9AL3MBTL1ATM
SCHEMBL16109050 0.80 ALDH1A1 (0.46) HPGDNPC1CYP2C9CYP2C19RAB9A
SCHEMBL16109494 0.80 ATM (0.40) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL16108980 0.80 GAA (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1ATM

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