SCHEMBL9360739

SCHEMBL9360739

CCC(C(=O)O)N(C(=O)Cc1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.50
NR3C1 P04150 1/20 0.46
SRD5A2 P31213 1/20 0.45
PPARG P37231 6/20 0.44
PPARA Q07869 6/20 0.44
PPARD Q03181 3/20 0.44
EPHX2 P34913 3/20 0.43
ALOX5 P09917 3/20 0.43
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL9357314 0.89 PTGES (0.46) PPARGPPARAALOX5MMEACE
SCHEMBL9360756 0.84 TDP1 (0.48) SMN1; SMN2
SCHEMBL9361003 0.82 NPY5R (0.43) NPY5RNR3C1SRD5A2PPARGPPARA
SCHEMBL9356743 0.79 PPARG (0.45) PPARGPPARA
SCHEMBL28970987 0.75 ALDH1A1 (0.66) SMN1; SMN2
SCHEMBL9360958 0.75 CTBP2 (0.42) PPARGPPARASMN1; SMN2FFAR1
SCHEMBL9360750 0.74 TDP1 (0.49) SMN1; SMN2
SCHEMBL10048247 0.74 SMN1; SMN2 (0.66) NPY5RNR3C1SRD5A2EPHX2ALOX5
SCHEMBL20166110 0.74 ALDH1A1 (0.49) SMN1; SMN2
SCHEMBL2327420 0.74 CTRB1 (0.44) SMN1; SMN2

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-0415185-B1 4-Alkoxy- and 4-(substituted)amino-3-arylpyrrolinones derivatives BAYER AG (DE) 1994-12-07 EP disclosed
EP-0415185-A1 4-Alkoxy- and 4-(substituted)amino-3-arylpyrrolinones derivatives BAYER AG (DE) 1991-03-06 EP disclosed