SCHEMBL6502575

SCHEMBL6502575

CCC(C(=O)O)N(Cc1ccc(OCCn2c(C)ccc2-c2ccc(C)s2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 3/20 0.35
PPARD Q03181 1/20 0.35
MAPT P10636 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
SCHEMBL5434813 0.88 PGR (0.42) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL5438448 0.87 PGR (0.43) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL5438473 0.79 PPARG (0.48) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL1338276 0.74 PGR (0.67) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL5434326 0.72 PGR (0.51) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL5431707 0.72 PPARA (0.50) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL6076658 0.72 PGR (0.57) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL5431889 0.71 PGR (0.61) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL6076665 0.71 PGR (0.45) PTGS1PGRADORA3CHRM1TBXA2R
SCHEMBL5428468 0.71 PGR (0.65) PTGS1PGRADORA3CHRM1TBXA2R

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
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO claimed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO disclosed