SCHEMBL11273128

SCHEMBL11273128

CCOC(=O)C(CCCc1ccccc1N(C)C(=O)c1ccc(Cl)cc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL11273247 0.88 CDK4 (0.39) MAPK1ALDH1A1TSHRCDK4CCND1
SCHEMBL11263365 0.80 CDK4 (0.42) TDP1L3MBTL1ALDH1A1CDK4CCND1
SCHEMBL11255842 0.78 ALDH1A1 (0.40) MAPK1ALDH1A1CDK4CCND1SMN1; SMN2
SCHEMBL19577299 0.77 MAPT (0.39) L3MBTL1ALDH1A1TSHRCDK4CCND1
SCHEMBL11259485 0.77 LTB4R (0.44) ALDH1A1CDK4CCND1SMN1; SMN2
SCHEMBL11503539 0.76 CDK4 (0.43) TDP1L3MBTL1ALDH1A1CDK4CCND1
SCHEMBL11203242 0.76 TDP1 (0.55) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL11264455 0.75 ALDH1A1 (0.42) TDP1L3MBTL1ALDH1A1TSHRCDK4
SCHEMBL11262458 0.73 MAPT (0.42) TDP1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL11038591 0.73 PPARA (0.51) TDP1MEN1KMT2AL3MBTL1MAPK1

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-0003532-B1 OMEGA-(2-(N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS, THEIR USE AND PREPARATION, AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-04-28 EP disclosed
EP-0003532-A1 Omega-(2-(N-lower alkyl-benzamido)-phenyl)-alkanoic acids, their use and preparation, and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-08-22 EP disclosed