SCHEMBL9458917

SCHEMBL9458917

CC(=O)SCC(Cc1ccccc1C)NC(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
PPARG P37231 2/20 0.39
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MME P08473 2/20 0.36
MMEL1 Q495T6 1/20 0.36
TAS1R3 Q7RTX0 5/20 0.36
TAS1R1 Q7RTX1 5/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ACE P12821 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
SCHEMBL9458824 0.84 CTRB1 (0.49) HTTPPARGCDC25ACDC25BHSD17B10
SCHEMBL9459542 0.81 MAPT (0.45) PPARGALDH1A1HPGDTAS1R3TAS1R1
SCHEMBL9459027 0.81 SLC7A5 (0.42) ALDH1A1HPGDMMEMMEL1TAS1R3
SCHEMBL9459397 0.80 L3MBTL1 (0.43) PPARGHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9459549 0.77 LMNA (0.40) HTTPPARGHSD17B10ALDH1A1HPGD
SCHEMBL9727438 0.75 PAM (0.41) HTTPPARGCDC25BALDH1A1HPGD
SCHEMBL9459260 0.73 GAA (0.45) HTTALDH1A1MAPT
SCHEMBL7398409 0.73 CTRB1 (0.51) PPARGALDH1A1
SCHEMBL9727344 0.72 MAPT (0.42) PPARGALDH1A1KDM4EMAPT
SCHEMBL7367331 0.71 PPARG (0.45) HTTPPARGALDH1A1HPGDMME

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
US-5232920-A For treating hypertension and congestive heart failure in mammals SCHERING CORPORATION (US) 1993-08-03 US claimed
US-5232920-A For treating hypertension and congestive heart failure in mammals SCHERING CORPORATION (US) 1993-08-03 US disclosed