SCHEMBL9502427

SCHEMBL9502427

Cc1ccc(CCNc2cc(C(=O)OC3CCC4CC(OCC(C)C)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 6/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MTOR P42345 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
P2RY2 P41231 2/20 0.32
CDK2 P24941 1/20 0.31
MAPT P10636 4/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL9505281 0.93 P2RY4 (0.39) P2RY4NPC1RAB9AMTORSIRT2
SCHEMBL9505286 0.93 P2RY4 (0.39) P2RY4NPC1RAB9AMTORSIRT2
SCHEMBL9504344 0.90 P2RY4 (0.39) P2RY4NPC1RAB9AMTORSIRT2
SCHEMBL9504225 0.89 P2RY4 (0.40) P2RY4NPC1RAB9AMTORSIRT2
SCHEMBL9501758 0.83 P2RY4 (0.40) P2RY4P2RY2CDK2MAPTALDH1A1
SCHEMBL9501751 0.83 P2RY4 (0.40) P2RY4P2RY2CDK2MAPTALDH1A1
SCHEMBL9503086 0.82 P2RY4 (0.38) P2RY4P2RY2CDK2MAPTALDH1A1
SCHEMBL9503080 0.82 P2RY4 (0.38) P2RY4P2RY2CDK2MAPTALDH1A1
SCHEMBL9501378 0.82 P2RY4 (0.37) P2RY4P2RY2CDK2MAPTALDH1A1
SCHEMBL9501381 0.82 P2RY4 (0.37) P2RY4P2RY2CDK2MAPTALDH1A1

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 3 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
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed