SCHEMBL13005251

SCHEMBL13005251

CN(C)OC(=O)c1cc(/C=C2\Oc3ccccc3N2CCc2ccccc2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 2/20 0.36
P2RX4 Q99571 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
CARM1 Q86X55 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.34
SMPD1 P17405 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
EGFR P00533 1/20 0.33
EP300 Q09472 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
SCHEMBL12866303 0.82 EP300 (0.44) SIGMAR1MAPTS1PR1S1PR3CARM1
SCHEMBL12866239 0.76 SIGMAR1 (0.35) SIGMAR1MAPTP2RX4S1PR1S1PR3
SCHEMBL12866302 0.72 EP300 (0.37) MAPTS1PR1S1PR3CARM1ALDH1A1
SCHEMBL13005253 0.66 CA1 (0.40) ALDH1A1MEN1KMT2AMAPK1HSD17B10
SCHEMBL28064646 0.64 SIGMAR1 (0.63) SIGMAR1MAPTP2RX4ALDH1A1MEN1
SCHEMBL13005254 0.64 MEN1 (0.39) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL9315635 0.60 LMNA (0.62) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL19091685 0.59 SIGMAR1 (0.47) SIGMAR1MAPTP2RX4ALDH1A1MEN1
SCHEMBL12880707 0.59 MEN1 (0.41) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL9951142 0.58 KDM4E (0.47) MAPTP2RX4ALDH1A1KDM4E

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-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed