SCHEMBL27476014

SCHEMBL27476014

C=CCCOCC(=O)N(CCCC)c1cc(CCN)ccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
RARB P10826 5/20 0.33
RARA P10276 3/20 0.33
KAT8 Q9H7Z6 2/20 0.33
RARG P13631 2/20 0.33
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
PLK1 P53350 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
LTA4H P09960 2/20 0.31
HTR1A P08908 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL27511939 0.93 PPARA (0.37) PPARAPPARGRARBRARAKAT8
SCHEMBL27489933 0.90 PPARA (0.35) PPARAPPARGRARBRARAKAT8
SCHEMBL27492048 0.87 PPARA (0.36) PPARAPPARGKAT8LTB4R2
SCHEMBL27511944 0.85 PPARA (0.43) PPARAPPARGRARBRARAKAT8
SCHEMBL27492421 0.84 ACHE (0.33) PPARAPPARGGLAACHECYP1A2
SCHEMBL27491013 0.81 PPARA (0.39) PPARAPPARGRARBRARAKAT8
SCHEMBL27491017 0.81 PPARA (0.31) PPARAPPARG
SCHEMBL27490291 0.81 PPARA (0.35) PPARAPPARGRARBRARAKAT8
SCHEMBL27491704 0.80 PPARA (0.43) PPARAPPARGRARBRARAKAT8
SCHEMBL6576926 0.79 CYP1A2 (0.38) SMN1; SMN2HTR1ACYP1A2CYP3A4CYP2D6

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