SCHEMBL9490119

SCHEMBL9490119

COc1cc(C(=O)O)ccc1-c1cn(C)c2ccc(CCNC(=O)N(C)C)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.40
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 2/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTT P42858 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL9488408 0.85 PLA2G4A (0.50) CPT2CPT1ACPT1B
SCHEMBL9490133 0.78 NQO2 (0.43) MEN1KMT2ANQO2MTNR1AMTNR1B
SCHEMBL9488382 0.77 CYSLTR2 (0.57)
SCHEMBL9757723 0.77 NQO2 (0.42) MAPTMEN1KMT2ACPT2CPT1A
SCHEMBL9490117 0.77 NQO2 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9490186 0.76 PLA2G4A (0.41) MAPTGAA
SCHEMBL9488822 0.72
SCHEMBL9488367 0.72 CYSLTR2 (0.62)
SCHEMBL9488414 0.70 TRPV1 (0.41) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL9488613 0.70 CYSLTR2 (0.49) MAPT

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-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed