SCHEMBL11065600

SCHEMBL11065600

C#CCNc1ccc(C(=O)OC)cc1C(=O)C(=O)OC(=O)C(=O)c1cc(C(=O)OC)ccc1NCC#C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.41
ALDH1A1 P00352 12/20 0.41
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 5/20 0.39
GAA P10253 3/20 0.39
GLA P06280 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
CDK2 P24941 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11071289 0.85 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL11063693 0.81 HCAR3 (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL23143772 0.78 MAPT (0.51) KDM4EALDH1A1MAPTHSD17B10ATM
SCHEMBL29811877 0.78 MAPT (0.51) KDM4EALDH1A1MAPTHSD17B10ATM
SCHEMBL31750534 0.76 CA1 (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL30871180 0.74 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL11066299 0.73 ALDH1A1 (0.58) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL30871556 0.73 NOTUM (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL29208134 0.72 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL12421799 0.70 POLB (0.58) KDM4EALDH1A1MAPTHPGDCA12

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