SCHEMBL7475485

SCHEMBL7475485

O=C(O)c1ccccc1Cc1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
ALOX5 P09917 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 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

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
SCHEMBL7477639 0.80 TSHR (0.51) KDM4EALDH1A1KMT2ACA1CA9
SCHEMBL7483897 0.79 F2 (0.45) KDM4EALDH1A1NPC1NFKB1RAB9A
SCHEMBL7465669 0.78 KDM4E (0.55) ALOX5IKBKBCHUKKDM4EALDH1A1
SCHEMBL7475482 0.72 POLB (0.44) MMP12MMP13ALOX5IKBKBCHUK
SCHEMBL7478027 0.69 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL12394316 0.69 HDAC2 (0.58) MMP12MMP13ALOX5KDM5AKDM4C
SCHEMBL7482853 0.69 HRH3 (0.50) MMP13KDM4EALDH1A1MEN1NPC1
SCHEMBL1247877 0.69 ALOX5 (0.57) MMP12MMP13ALOX5IKBKBCHUK
SCHEMBL7077495 0.68 AHR (0.51) KDM4EALDH1A1F2
SCHEMBL7474003 0.67 HRH3 (0.60) MMP13KDM4EALDH1A1MEN1NPC1

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