SCHEMBL5990819

SCHEMBL5990819

C[C@@H](O)CCOc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.51
▸ PPARD Q03181 4/20 0.51
▸ PPARA Q07869 4/20 0.51
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ SLC6A4 P31645 1/20 0.44
▸ RHEB Q15382 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSPO P30536 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL5990397 1.00 PPARG (0.51) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL5990391 1.00 PPARG (0.51) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL5991304 0.81 PPARG (0.53) PPARGPPARDPPARAL3MBTL1HTT
SCHEMBL5991311 0.81 PPARG (0.53) PPARGPPARDPPARAL3MBTL1HTT
SCHEMBL5989981 0.80 PPARG (0.51) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL5991150 0.80 PPARG (0.51) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL5989975 0.80 PPARG (0.51) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL5990060 0.80 CYP1A2 (0.51) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL21850358 0.78 HPGD (0.56) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL5990128 0.76 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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