SCHEMBL27472802

SCHEMBL27472802

CCCCCCN(C(=O)COCc1ccccc1)c1cc(CC[N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
KAT8 Q9H7Z6 2/20 0.36
DRD2 P14416 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
STAT3 P40763 1/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
CNR2 P34972 1/20 0.35
PLA2G4B P0C869 3/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 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
SCHEMBL27476016 0.90 PPARA (0.43) PPARAPPARGKAT8STAT3PLA2G4B
SCHEMBL27491704 0.87 PPARA (0.43) PPARAPPARGKAT8DRD2OPRM1
SCHEMBL27551069 0.87 KDM4E (0.37) ALDH1A1NPC1RAB9ALTB4R2
SCHEMBL27491012 0.84 PDK1 (0.37) ALDH1A1STAT3LTB4R2
SCHEMBL27476015 0.83 LTB4R (0.37) ALDH1A1NPC1RAB9ALTB4R2
SCHEMBL27490291 0.82 PPARA (0.35) PPARAPPARGKAT8ALDH1A1LTB4R2
SCHEMBL27492048 0.81 PPARA (0.36) PPARAPPARGKAT8LTB4R2
SCHEMBL27491346 0.81 PPARA (0.40) PPARAPPARGKAT8ALDH1A1TP53
SCHEMBL27491344 0.81 PPARA (0.37) PPARAPPARGKAT8ALDH1A1PLA2G4B
SCHEMBL27473238 0.81 PPARA (0.39) PPARAPPARGKAT8ALDH1A1TP53

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
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed