SCHEMBL5989704

SCHEMBL5989704

C[C@@H](CCOS(C)(=O)=O)Oc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.56
▸ PPARD Q03181 8/20 0.56
▸ PPARA Q07869 8/20 0.56
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSPO P30536 1/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ FFAR1 O14842 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
SCHEMBL5989711 1.00 PPARG (0.56) PPARGPPARDPPARACYP3A4CYP2C9
SCHEMBL5989877 1.00 PPARG (0.56) PPARGPPARDPPARACYP3A4CYP2C9
SCHEMBL5989110 0.86 PPARG (0.42) PPARGPPARDPPARANPSR1ALDH1A1
SCHEMBL5989115 0.86 PPARG (0.42) PPARGPPARDPPARANPSR1ALDH1A1
SCHEMBL5990163 0.85 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5990165 0.85 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5990335 0.85 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5989413 0.83 PPARG (0.58) PPARGPPARDPPARAFFAR1
SCHEMBL5989417 0.83 PPARG (0.58) PPARGPPARDPPARAFFAR1
SCHEMBL5989975 0.81 PPARG (0.51) PPARGPPARDPPARACYP3A4CYP2C9

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 — — EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 — — WO disclosed
Send feedback