SCHEMBL12736232

SCHEMBL12736232

COCc1cc(C)c(CCO)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 7/20 0.38
PRKCE Q02156 3/20 0.38
MYLK Q15746 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCA P17252 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 6/20 0.35
KDM4E B2RXH2 6/20 0.35
LMNA P02545 2/20 0.33
HSD17B3 P37058 1/20 0.33
KCNA2 P16389 1/20 0.33
KCNA1 Q09470 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 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
SCHEMBL12736222 0.87 TAAR1 (0.42) NPSR1CYP2D6
SCHEMBL12736242 0.84 NPSR1 (0.33) NPSR1ALDH1A1PRKCEMYLKMAPT
SCHEMBL9505644 0.84 ALDH1A1 (0.43) NPSR1ALDH1A1PRKCEMYLKMAPT
SCHEMBL15957607 0.84 NPSR1 (0.52) NPSR1ALDH1A1MAPTTDP1KDM4E
SCHEMBL28636923 0.80 NPSR1 (0.48) NPSR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL3194453 0.80 ALDH1A1 (0.40) NPSR1ALDH1A1PRKCEMYLKMAPT
SCHEMBL10114746 0.79 PRKCE (0.43) ALDH1A1PRKCEMYLKMAPTTDP1
SCHEMBL19932825 0.78 TAAR1 (0.52) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10793829 0.77 ALDH1A1 (0.41) NPSR1ALDH1A1PRKCEMYLKMAPT
SCHEMBL9731686 0.77 ALDH1A1 (0.39) NPSR1ALDH1A1PRKCEMYLKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081597-A1 POLYMER ELECTROLYTE, CROSSLINKED POLYMER ELECTROLYTE, POLYMER ELECTROLYTE MEMBRANE AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 US disclosed