SCHEMBL11267808

SCHEMBL11267808

CCCCNc1ccc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.81
MAPT P10636 8/20 0.62
NPC1 O15118 2/20 0.62
PKM P14618 2/20 0.62
ALDH1A1 P00352 2/20 0.62
RAB9A P51151 2/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
PRSS1 P07477 4/20 0.60
GAA P10253 1/20 0.58
PTGER4 P35408 1/20 0.55
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
SLC2A1 P11166 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL6044176 0.89 HCAR3 (1.00) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL6044024 0.85 HCAR3 (1.00) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL11238552 0.85 HCAR3 (0.77) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL11208444 0.84 HCAR3 (0.97) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL6044600 0.84 HCAR3 (0.97) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL11242963 0.84 HCAR3 (0.97) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL9192588 0.83 HCAR3 (0.77) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL7230677 0.83 HCAR3 (0.59) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL8509227 0.82 HCAR3 (0.69) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL11543635 0.82 HCAR3 (0.57) HCAR3MAPTNPC1PKMALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed