SCHEMBL11070577

SCHEMBL11070577

C=CCNc1cc(C)c(C(=O)CCC)cc1C(=O)C(=O)OC(=O)C(=O)c1cc(C(=O)CCC)c(C)cc1NCC=C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HPGD P15428 4/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCAR3 P49019 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
THRB P10828 2/20 0.30
THRA P10827 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
SCHEMBL11061402 0.86 ALDH1A1 (0.36) GAALMNAMAPTMAPK1CASP1
SCHEMBL11064529 0.85 ALDH1A1 (0.43) GAALMNAMAPTMAPK1CASP1
SCHEMBL11073590 0.83 ALDH1A1 (0.37) GAALMNAMAPTMAPK1CASP1
SCHEMBL11068908 0.74 TDP1 (0.39) GAALMNAMAPTMAPK1CASP1
SCHEMBL11063693 0.72 HCAR3 (0.41) GAALMNAMAPTCASP1CASP7
SCHEMBL11071632 0.69 MAPT (0.42) GAALMNAMAPTMAPK1CASP1
SCHEMBL11068685 0.69 HSD17B3 (0.41) GAAMAPTHPGDALDH1A1HCAR3
SCHEMBL27731762 0.65 GAA (0.47) GAALMNAMAPTMAPK1HPGD
SCHEMBL23544604 0.64 HPGD (0.53) GAALMNAMAPTMAPK1CASP1
SCHEMBL3646867 0.63 ALDH1A1 (0.44) GAALMNAMAPTMAPK1CASP1

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-4476132-A Acylquinolinone derivatives, and antiallergic preparations and methods of inhibiting allergic reactions using them CIBA-GEIGY CORPORATION (US) 1984-10-09 US disclosed