SCHEMBL5991196

SCHEMBL5991196

C[C@H](CCO)Oc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.56
▸ PPARD Q03181 7/20 0.56
▸ PPARA Q07869 7/20 0.56
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TSPO P30536 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RHEB Q15382 2/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5990128 1.00 PPARG (0.56) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL5990286 1.00 PPARG (0.56) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL5990267 0.84 PPARG (0.41) PPARGPPARDPPARA
SCHEMBL5990271 0.84 PPARG (0.41) PPARGPPARDPPARA
SCHEMBL5989732 0.83 PPARG (0.61) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL5990452 0.83 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL5990443 0.83 PPARG (0.57) PPARGPPARDPPARA
SCHEMBL5990524 0.81 PPARG (0.58) PPARGPPARDPPARAMAPTLMNA
SCHEMBL5990518 0.81 PPARG (0.58) PPARGPPARDPPARAMAPTLMNA
SCHEMBL5989877 0.80 PPARG (0.56) PPARGPPARDPPARACYP1A2CYP3A4

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
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