SCHEMBL11274736

SCHEMBL11274736

CCCCNc1cc(C)c(C(=O)CCC)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.57
MAPT P10636 7/20 0.51
PKM P14618 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KAT2B Q92831 3/20 0.42
PRSS1 P07477 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL11279686 0.88 HCAR3 (0.52) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL11208114 0.84 HCAR3 (0.47) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL14334902 0.82 MAPT (0.60) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL29959789 0.82 MAPT (0.60) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL3655815 0.79 PTGER4 (0.41) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL1046521 0.77 HCAR3 (0.58) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL15239673 0.76 MAPT (0.61) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL11220359 0.76 VCAM1 (0.43) MAPTPOLBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11231775 0.76 LMNA (0.42) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL11073590 0.75 ALDH1A1 (0.37) HCAR3MAPTALDH1A1TDP1SMN1; SMN2

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