SCHEMBL9727438

SCHEMBL9727438

CC(=O)SCC(Cc1ccccc1C)NC(=O)SCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.41
MME P08473 2/20 0.39
ACE P12821 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
S100A4 P26447 1/20 0.35
CDC25B P30305 1/20 0.35
NR3C1 P04150 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC3 O15438 1/20 0.34
NR1I2 O75469 1/20 0.34

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
SCHEMBL9727210 0.86 ALDH1A1 (0.38) PPARGPPARAALDH1A1HPGDNR3C1
SCHEMBL7398409 0.78 CTRB1 (0.51) PPARGPPARAALDH1A1NR3C1L3MBTL1
SCHEMBL9459397 0.76 L3MBTL1 (0.43) PPARGALDH1A1HPGDL3MBTL1
SCHEMBL7367331 0.76 PPARG (0.45) MMEACEPPARGPPARAALDH1A1
SCHEMBL7367328 0.76 PPARG (0.45) MMEACEPPARGPPARAALDH1A1
SCHEMBL9459542 0.75 MAPT (0.45) PPARGALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL9459549 0.75 LMNA (0.40) PPARGPPARAALDH1A1HPGDCYP1A2
SCHEMBL9458917 0.75 HTT (0.42) MMEACEPPARGALDH1A1HPGD
SCHEMBL9727172 0.74 NLRP3 (0.48) PPARAALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL9727232 0.74 LMNA (0.43) MMEACEPPARGPPARANR3C1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173506-A For treating hypertension, congestive heart failure, edema or urogenital disorders in mammals SCHERING CORPORATION (US) 1992-12-22 US disclosed