SCHEMBL7124898

SCHEMBL7124898

CC(OC(=O)C(N)=O)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AOC3 Q16853 1/20 0.40
SSTR4 P31391 1/20 0.40

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
SCHEMBL17209569 0.89 ALOX5 (0.48) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL8961331 0.89 ALOX5 (0.48) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL8467415 0.89 ALOX5 (0.48) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL3716250 0.85 ALDH1A1 (0.46) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL2032763 0.84 LMNA (0.40) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL5932125 0.83 ALDH1A1 (0.44) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL7515731 0.83 ALDH1A1 (0.44) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL5932136 0.83 ALDH1A1 (0.45) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL5933190 0.82 ALDH1A1 (0.43) ALOX5ALDH1A1GAACYP2C9CYP1A2
SCHEMBL5655825 0.82 ALDH1A1 (0.43) ALOX5ALDH1A1GAACYP2C9CYP1A2

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed