SCHEMBL6581444

SCHEMBL6581444

C=CCNc1ccc(C(=O)OCC)c(N(C)C(=O)COCc2ccc(O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.37
PKM P14618 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL6579509 0.93 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1KDM4EHPGD
SCHEMBL8307546 0.89 PPARA (0.33) EGFRCA1CA2ALDH1A1LMNA
SCHEMBL6579875 0.84 KMT2A (0.41) EGFRCA1CA2CA12CA7
SCHEMBL6579028 0.80 CA12 (0.44) CA1CA2CA12CA7CA9
SCHEMBL6579175 0.79 SMN1; SMN2 (0.47) CA1CA2CA12CA7CA9
SCHEMBL6581198 0.76 MMP1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL6581205 0.76 MMP1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL6582050 0.76 PLK1 (0.37) EGFRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL6578819 0.75 TDP1 (0.41) ALDH1A1LMNAHPGDTDP1MAPT
SCHEMBL6581292 0.75 EGFR (0.43) EGFRCA1CA2ALDH1A1LMNA

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
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed