SCHEMBL8307546

SCHEMBL8307546

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MTOR P42345 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
FFAR1 O14842 1/20 0.32
STING1 Q86WV6 1/20 0.32
MAPT P10636 2/20 0.32
RGS12 O14924 1/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32

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
SCHEMBL6581444 0.89 EGFR (0.39) ALDH1A1LMNACA1CA2MAPT
SCHEMBL6579509 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHTTMAPTTDP1
SCHEMBL27474525 0.77 TAAR1 (0.38) PPARAALDH1A1LMNAACHEEGFR
SCHEMBL27489939 0.76 KMT2A (0.33) PPARAALDH1A1HTTEGFRLCK
SCHEMBL6579875 0.73 KMT2A (0.41) ALDH1A1CA1CA2MAPTEGFR
SCHEMBL27475381 0.72 MCHR1 (0.40) ALDH1A1LMNAHTTFFAR1MAPT
SCHEMBL27489936 0.72 LTB4R (0.39) ALDH1A1LMNAHTTMAOBKMT2A
SCHEMBL27490654 0.71 CA12 (0.32) ALDH1A1CA1CA2MAPTTDP1
SCHEMBL27511940 0.70 ACHE (0.40) ACHE
SCHEMBL6577164 0.70 MAPT (0.47) ALDH1A1LMNAHTTMAPTTDP1

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
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed