SCHEMBL14968301

SCHEMBL14968301

CCCOC(=O)C1(C)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL14967066 0.88 ALDH1A1 (0.48) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL14968230 0.86 NAAA (0.47) HCAR2ALDH1A1LMNATSHRATM
SCHEMBL14967777 0.84 NAAA (0.50) HCAR2ALDH1A1LMNATSHR
SCHEMBL14967572 0.82 ALDH1A1 (0.42) HCAR2ALDH1A1LMNATSHRKDM4E
SCHEMBL14967374 0.79 HCAR2 (0.32) HCAR2ALDH1A1LMNA
SCHEMBL14967590 0.77 PPM1B (0.31) HCAR2ALDH1A1LMNACHRM1TSHR
SCHEMBL14967478 0.77 TSHR (0.33) HCAR2ALDH1A1LMNACHRM1TSHR
SCHEMBL14967317 0.76 TSHR (0.35) HCAR2ALDH1A1LMNACHRM1TSHR
SCHEMBL1728051 0.72 SMN1; SMN2 (0.36) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL14967910 0.71 HCAR2 (0.34) HCAR2ALDH1A1LMNAESR1CHRM1

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