SCHEMBL9504344

SCHEMBL9504344

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 3/20 0.39
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
P2RY2 P41231 2/20 0.31
HPGD P15428 2/20 0.31
ADORA1 P30542 1/20 0.31
CDK2 P24941 1/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPK1 P28482 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
ALOX12 P18054 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
SCHEMBL9502427 0.90 P2RY4 (0.39) P2RY4NPC1MTORRAB9ASIRT2
SCHEMBL9504225 0.89 P2RY4 (0.40) P2RY4NPC1MTORRAB9ASIRT2
SCHEMBL9505214 0.85 MEN1 (0.30) HPGDMAPTALDH1A1NPSR1TDP1
SCHEMBL9505286 0.84 P2RY4 (0.39) P2RY4NPC1MTORRAB9ASIRT2
SCHEMBL9505281 0.84 P2RY4 (0.39) P2RY4NPC1MTORRAB9ASIRT2
SCHEMBL9505227 0.83 SCN1A (0.31)
SCHEMBL9501758 0.82 P2RY4 (0.40) P2RY4P2RY2HPGDCDK2MAPT
SCHEMBL9501751 0.82 P2RY4 (0.40) P2RY4P2RY2HPGDCDK2MAPT
SCHEMBL9503080 0.82 P2RY4 (0.38) P2RY4P2RY2HPGDCDK2MAPT
SCHEMBL9503086 0.82 P2RY4 (0.38) P2RY4P2RY2HPGDCDK2MAPT

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