SCHEMBL7477074

SCHEMBL7477074

CCOC(=O)c1ccccc1Cn1ccc2cc(C(O)C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
PPARG P37231 11/20 0.41
TSHR P16473 2/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL27583598 0.88 PPARG (0.42) FLT1KDRPPARGTSHRPPARD
SCHEMBL7473999 0.83 PPARG (0.49) PPARGTSHR
SCHEMBL7471302 0.83 TSHR (0.43) FLT1KDRPPARGTSHRPPARD
SCHEMBL7477507 0.83 CA12 (0.46) FLT1KDRTSHRKDM4EALDH1A1
SCHEMBL7481379 0.82 ALDH1A1 (0.46) FLT1KDRTSHRKDM4EALDH1A1
SCHEMBL27583585 0.82 LMNA (0.47) FLT1KDRTSHRKDM4EALDH1A1
SCHEMBL7474367 0.80 MAOA (0.43) FLT1KDRTSHRKDM4EALDH1A1
SCHEMBL7482851 0.80 PPARG (0.51) PPARG
SCHEMBL7477071 0.80 THRA (0.52) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL7478282 0.79 TSHR (0.42) FLT1KDRTSHRKDM4EALDH1A1

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