SCHEMBL9322293

SCHEMBL9322293

CC(=O)SCC(Cc1ccccc1C)NC(=O)Oc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
PPARD Q03181 2/20 0.38
ATM Q13315 1/20 0.36
MAOB P27338 1/20 0.36
APP P05067 3/20 0.35
SLC7A5 Q01650 1/20 0.35
CYP3A4 P08684 2/20 0.34
ELANE P08246 2/20 0.34
JAK2 O60674 1/20 0.34
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL9727344 0.90 MAPT (0.42) PPARGPPARAMAOBCYP3A4ALDH1A1
SCHEMBL9459542 0.77 MAPT (0.45) PPARGCYP3A4ALDH1A1LMNAHPGD
SCHEMBL4926944 0.74 CTSS (0.54) PPARGPPARAPPARDATMAPP
SCHEMBL5796601 0.74 CTSS (0.54) PPARGPPARAPPARDATMAPP
SCHEMBL5796611 0.74 CTSS (0.54) PPARGPPARAPPARDATMAPP
SCHEMBL7398409 0.73 CTRB1 (0.51) PPARGPPARAATMCYP3A4ALDH1A1
SCHEMBL31565653 0.73 PPARG (0.42) PPARGPPARAPPARDATMAPP
SCHEMBL31565652 0.73 PPARG (0.42) PPARGPPARAPPARDATMAPP
SCHEMBL9727172 0.72 NLRP3 (0.48) PPARACYP3A4ALDH1A1HTT
SCHEMBL9459549 0.71 LMNA (0.40) PPARGPPARACYP3A4ALDH1A1LMNA

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-0543892-B1 N-(MERCAPTOALKYL)UREAS AND CARBAMATES SCHERING CORP (US) 1994-11-23 EP disclosed
US-5356925-A For cardiovascular and urogenital disorders SCHERING CORPORATION (US) 1994-10-18 US disclosed