SCHEMBL14966930

SCHEMBL14966930

O=P(c1ccccc1)(C1CCC1)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
NPSR1 Q6W5P4 2/20 0.37
CFTR P13569 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
ALPG P10696 1/20 0.35
ALOX12 P18054 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL14966208 0.95 GAA (0.44) GAASMN1; SMN2CA2CA4CA5A
SCHEMBL778386 0.93 SMN1; SMN2 (0.43) GAASMN1; SMN2CA2CA4CA5A
SCHEMBL14966174 0.91 CA2 (0.44) GAASMN1; SMN2CA2CA4CA5A
SCHEMBL8148549 0.81 SMYD3 (0.39) GAASMN1; SMN2CA2CA4CA5A
SCHEMBL24250384 0.78 GAA (0.33) GAASMN1; SMN2CYP3A4CYP2C19HTT
SCHEMBL13321940 0.77 GAA (0.53) GAASMN1; SMN2CA2CA4CA5A
SCHEMBL8023632 0.77 GAA (0.34) GAASMN1; SMN2CA2CA4CA5A
SCHEMBL778610 0.76 SMN1; SMN2 (0.52) GAASMN1; SMN2CA2CA4CA5A
SCHEMBL8597062 0.75 ALDH1A1 (0.39) GAASMN1; SMN2CA2CA4CA5A
SCHEMBL778811 0.74 SMN1; SMN2 (0.42) GAASMN1; SMN2CA2CA4CA5A

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-9505859-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-11-29 US disclosed
EP-2780381-B1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORP (JP) 2015-10-07 EP disclosed
US-20140303327-A1 Process For Producing Polydienes BRIDGESTONE CORPORATION (JP) 2014-10-09 US disclosed
EP-2780381-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2014-09-24 EP disclosed
WO-2013075085-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2013-05-23 WO disclosed