SCHEMBL7122796

SCHEMBL7122796

Cc1cc2cc3ccccc3cc2c(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TTR P02766 2/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 3/20 0.38
NQO1 P15559 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4172887 0.83 LMNA (0.54) LMNAHTTPKMPTGS1PTGS2
SCHEMBL3319014 0.82 CYP1A2 (0.46) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL482566 0.81 LMNA (0.38) LMNAHTTPKMMEN1NPC1
SCHEMBL31320884 0.80 CYP1A2 (0.44) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL31320889 0.80 CYP1A2 (0.44) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL28225839 0.80 CYP1A2 (0.44) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL31320910 0.80 CYP1A2 (0.44) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL31320819 0.80 CYP1A2 (0.44) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL31320923 0.80 CYP1A2 (0.44) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL30845731 0.79 CYP1A2 (0.46) LMNAHTTPKMMEN1NPC1

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
WO-2003031937-A2 GENETIC HYPERMUTABILITY OF PLANTS FOR GENE DISCOVERY AND DIAGNOSIS MORPHOTEK, INC. (US) 2003-04-17 WO claimed