SCHEMBL9801536

SCHEMBL9801536

CCc1cc(Nc2ccc(Nc3ccccc3)c3c2C(=O)OC32c3ccccc3Oc3ccccc32)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.32
PGR P06401 2/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RY12 Q9H244 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL395637 0.90 ALDH1A1 (0.35) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL6671207 0.87 ALDH1A1 (0.42) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL3974160 0.85 ALDH1A1 (0.39) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL3763286 0.83 ALDH1A1 (0.32) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL387762 0.83 PRKCB (0.36) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL6535406 0.81 NPSR1 (0.38) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL387083 0.81 NPSR1 (0.38) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL11023595 0.81 NPC1 (0.39) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL11688939 0.80 EGFR (0.35) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL10640227 0.79 ALDH1A1 (0.36) ALDH1A1CYP2C9HPGDALOX15ALOX12

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-5064806-A CONTAINING AN ALKYLAMMONIUM SALT; HIGH COLOR DENSITY, LOW BACKGROUND STRAIN MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-12 US disclosed