SCHEMBL7475482

SCHEMBL7475482

O=C(O)c1ccccc1Cn1ccc2cc(-c3cc4ccccc4o3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
SERPINE1 P05121 2/20 0.42
ALOX5 P09917 1/20 0.41
PPARG P37231 7/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC2 Q92769 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NPY1R P25929 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL7477635 0.80 PPARG (0.52) SERPINE1PPARGTSHR
SCHEMBL7477006 0.79 SERPINE1 (0.51) SERPINE1PPARGHDAC2
SCHEMBL27583578 0.78 SERPINE1 (0.41) POLBSERPINE1PPARGBCL2MCL1
SCHEMBL7524721 0.77 KMT2A (0.57) POLBKDM4EALDH1A1HDAC2MEN1
SCHEMBL7475485 0.72 MMP12 (0.42) MMP12MMP13ALOX5KDM4EALDH1A1
SCHEMBL7247046 0.70 CCR2 (0.61) SERPINE1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7478024 0.70 ALDH1A1 (0.52) POLBSERPINE1PPARGKDM4EALDH1A1
SCHEMBL14233800 0.69 PPARG (0.70) PPARG
SCHEMBL12394316 0.69 HDAC2 (0.58) POLBMMP12MMP13ALOX5KDM4E
SCHEMBL7482851 0.69 PPARG (0.51) SERPINE1PPARG

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
EP-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed