SCHEMBL7477279

SCHEMBL7477279

CCOC(=O)c1ccccc1Cc1cc2cc(OC(C)=O)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.49
PDGFRA P16234 7/20 0.49
FGFR1 P11362 1/20 0.49
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 2/20 0.43

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
SCHEMBL7477511 0.85 ALOX5 (0.48) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL28750014 0.85 TSHR (0.50) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7481382 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7469855 0.84 GABRA1 (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7474003 0.83 HRH3 (0.60) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7478060 0.82 CYP11B1 (0.43) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7481943 0.81 SMN1; SMN2 (0.46) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL7482853 0.80 HRH3 (0.50) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5680973 0.78 KDM4E (0.76) PDGFRBPDGFRAFGFR1KDM4EALDH1A1
SCHEMBL7471932 0.76 HSD17B10 (0.39) KDM4EALDH1A1HPGDRAB9ANPC1

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