SCHEMBL9502305

SCHEMBL9502305

CCOc1ccc(Nc2cc(C(=O)OC3CCC4CC(F)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 7/20 0.51
P2RY4 P51582 8/20 0.40
P2RY12 Q9H244 2/20 0.40
PHLPP2 Q6ZVD8 1/20 0.39
GNG2 P59768 2/20 0.38
GNB1 P62873 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
ENTPD1 P49961 1/20 0.36
P2RY6 Q15077 1/20 0.36

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
SCHEMBL9502310 1.00 P2RY2 (0.51) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9505254 0.92 P2RY2 (0.53) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9505247 0.92 P2RY2 (0.53) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9502978 0.92 P2RY2 (0.53) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9502982 0.92 P2RY2 (0.53) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9501642 0.89 P2RY4 (0.44) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9501646 0.89 P2RY4 (0.44) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9503138 0.85 P2RY2 (0.46) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9503145 0.85 P2RY2 (0.46) P2RY2P2RY4P2RY12PHLPP2GNG2
SCHEMBL9501690 0.84 ADORA2A (0.38) P2RY2KDM4EALDH1A1MAPTMAPK1

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-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed
US-4883611-A ANTHRAQUINONE COMPOUND CONTAINING DECAHYDRONAPHTHYL GROUP MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-11-28 US disclosed