SCHEMBL27490286

SCHEMBL27490286

CCCCCCCCOCC(=O)N(C/C=C(\C)CCC=C(C)C)c1cc(CCN)ccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
SLC6A3 Q01959 2/20 0.37
TRPM7 Q96QT4 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
TRPV1 Q8NER1 5/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
TRPA1 O75762 2/20 0.36
INHA P05111 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
TRPV2 Q9Y5S1 1/20 0.36
ICMT O60725 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
SCHEMBL27511944 0.84 PPARA (0.43) PPARGPPARAHTR2AMAPTRARB
SCHEMBL6579381 0.82 ALDH1A1 (0.35) TRPV1LMNACYP1A2POLBMAPT
SCHEMBL6579376 0.82 ALDH1A1 (0.35) TRPV1LMNACYP1A2POLBMAPT
SCHEMBL27491014 0.78 PPARA (0.47) PPARGPPARAHTR2ARARBKAT8
SCHEMBL27511943 0.78 PPARA (0.47) PPARGPPARAHTR2ARARBKAT8
SCHEMBL27511939 0.76 PPARA (0.37) PPARGPPARATRPV1CYP1A2CYP3A4
SCHEMBL27476014 0.76 PPARA (0.38) PPARGPPARATRPV1CYP1A2CYP3A4
SCHEMBL27491013 0.75 PPARA (0.39) PPARGPPARALMNACYP1A2CYP3A4
SCHEMBL6582084 0.74 MEN1 (0.39) PPARALMNACYP1A2POLBMAPT
SCHEMBL6582092 0.74 MEN1 (0.39) PPARALMNACYP1A2POLBMAPT

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