SCHEMBL27490291

SCHEMBL27490291

C=CCCCCN(C(=O)COCCCC)c1cc(CC[N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
KAT8 Q9H7Z6 2/20 0.30
LTA4H P09960 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL27492048 0.93 PPARA (0.36) PPARAPPARGKAT8LTB4R2
SCHEMBL27476016 0.91 PPARA (0.43) PPARAPPARGRARARARBKAT8
SCHEMBL27475378 0.90 PPARA (0.33) PPARAPPARG
SCHEMBL27511939 0.88 PPARA (0.37) PPARAPPARGRARARARBALDH1A1
SCHEMBL27491346 0.86 PPARA (0.40) PPARAPPARGRARARARBALDH1A1
SCHEMBL27496205 0.86 PPARA (0.40) PPARAPPARGRARARARBKAT8
SCHEMBL27473238 0.82 PPARA (0.39) PPARAPPARGRARARARBALDH1A1
SCHEMBL27556121 0.82 PPARA (0.41) PPARAPPARGRARARARBALDH1A1
SCHEMBL27472802 0.82 PPARA (0.41) PPARAPPARGALDH1A1KAT8LTB4R2
SCHEMBL27473239 0.81 PPARA (0.37) PPARAPPARGALDH1A1KAT8

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