SCHEMBL7907633

SCHEMBL7907633

COC(=O)Cc1ccc(SCCCN)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
PPARG P37231 8/20 0.42
PPARD Q03181 8/20 0.42
PPARA Q07869 8/20 0.42
CA2 P00918 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LMNA P02545 1/20 0.38
LDHA P00338 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 2/20 0.38
SLC7A5 Q01650 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL926277 0.93 ALDH1A1 (0.51) ALDH1A1GAAGFERPPARGPPARD
SCHEMBL5209075 0.87 ALDH1A1 (0.45) ALDH1A1GAAGFERPPARGPPARD
SCHEMBL7911541 0.83 ALDH1A1 (0.46) ALDH1A1GAAGFERPPARGPPARD
SCHEMBL5522622 0.80 ALDH1A1 (0.48) ALDH1A1GAAGFERCA2CYP4F2
SCHEMBL1865811 0.79 ALDH1A1 (0.53) ALDH1A1GAAGFERCA2CYP4F2
SCHEMBL5531563 0.78 ALDH1A1 (0.46) ALDH1A1GAAGFERPPARDCA2
SCHEMBL926707 0.76 IDO1 (0.46) ALDH1A1GAAGFERCA2LMNA
SCHEMBL3235701 0.76 PPARD (0.45) ALDH1A1GAAGFERPPARDCA2
SCHEMBL6938837 0.75 PPARG (0.43) ALDH1A1PPARGPPARDPPARACA2
SCHEMBL14592239 0.75 ALDH1A1 (0.48) ALDH1A1GAAGFERCA2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083888-A1 MULTIBINDING AGENTS THAT MODULATE PPARgamma AND RXR RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999063983-A9 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE INC (US) 2000-03-23 WO disclosed
WO-1999063983-A1 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed