SCHEMBL9505214

SCHEMBL9505214

Cc1ccc(CCSc2cc(C(=O)OC3CCC4CC(CC(C)C)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9501355 0.90 FFAR4 (0.32) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL9501652 0.90 MAPT (0.32) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL9501438 0.89 MEN1 (0.31) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL9504344 0.85 P2RY4 (0.39) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL9505344 0.84 CA12 (0.32) ALDH1A1LMNAMAPTHPGDALOX12
SCHEMBL9505347 0.84 CA12 (0.32) ALDH1A1LMNAMAPTHPGDALOX12
SCHEMBL9505227 0.83 SCN1A (0.31)
SCHEMBL9505289 0.82 MAPT (0.33) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL9505294 0.82 MAPT (0.33) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL9505187 0.82 MAPT (0.32) MEN1ALDH1A1LMNAMAPTPKM

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