SCHEMBL17688293

SCHEMBL17688293

CCc1ccc(C(N)=O)cc1.CCc1ccc(C(N)=O)cc1.CCc1ccc(C(N)=O)cc1.OCC(O)N(C(O)CO)C(O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
PLK1 P53350 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
PARP10 Q53GL7 4/20 0.41
CHEK2 O96017 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NQO2 P16083 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP17A1 P05093 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHUK O15111 1/20 0.37

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
SCHEMBL178439 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PLK1PLA2G10PLA2G2A
SCHEMBL4520699 0.77 CYP17A1 (0.58) ALDH1A1SMN1; SMN2PLK1PLA2G10PLA2G2A
SCHEMBL10243616 0.77 CYP17A1 (0.58) ALDH1A1SMN1; SMN2PLK1PLA2G10PLA2G2A
Benzamide SCHEMBL27520826 0.73 L3MBTL1 (0.67) ALDH1A1SMN1; SMN2PLK1PLA2G10PLA2G2A
SCHEMBL21628385 0.73 PARP10 (0.70) ALDH1A1SMN1; SMN2PARP10CHEK2
Trifluoroacetic Acid SCHEMBL7850274 0.71 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2PLK1PLA2G10PLA2G2A
SCHEMBL28913867 0.70 PLA2G10 (0.48) ALDH1A1PLA2G10PLA2G2APARP10MAPT
SCHEMBL28913866 0.70 PLA2G10 (0.48) ALDH1A1PLA2G10PLA2G2APARP10MAPT
SCHEMBL2913661 0.70 HRH3 (0.52) ALDH1A1PLA2G10PLA2G2APARP10CYP17A1
SCHEMBL873232 0.68 PRSS1 (0.60) ALDH1A1PLA2G10PLA2G2APARP10MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207090-A2 IMPROVED RUBBER COMPOSITIONS AND USES THEREOF Bridgestone Corporation (JP) 2017-08-23 EP disclosed
WO-2016061304-A2 IMPROVED RUBBER COMPOSITIONS AND USES THEREOF BRIDGESTONE CORPORATION (JP) 2016-04-21 WO disclosed