Sugi Predict

Sugi Predict / Compounds / SCHEMBL6904075

SCHEMBL6904075

SCHEMBL6904075

Cc1ccc(SCC[C@H](Oc2ccc(C(F)(F)F)cc2)C(=O)OC(=O)OC(=O)[C@H](CCSc2ccc(C)cc2)Oc2ccc(C(F)(F)F)cc2)cc1.[CsH].[CsH]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.40
▸ PPARG P37231 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ PPARD Q03181 10/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ SLC6A9 P48067 1/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL6902221 0.90 PPARA (0.47) PPARAPPARGALDH1A1PPARDPTPN1
SCHEMBL3971145 0.86 PPARA (0.52) PPARAPPARGALDH1A1PPARDPTPN1
SCHEMBL3971738 0.86 PPARA (0.52) PPARAPPARGALDH1A1PPARDPTPN1
SCHEMBL3973894 0.86 PPARA (0.52) PPARAPPARGALDH1A1PPARDPTPN1
SCHEMBL6903479 0.86 PPARD (0.39) PPARAPPARGALDH1A1PPARD
SCHEMBL6903502 0.84 PPARG (0.40) PPARAPPARGPPARDPTPN1
SCHEMBL11993009 0.76 PPARA (0.53) PPARAPPARGPPARDPTPN1SLC6A9
SCHEMBL3967738 0.76 PPARG (0.62) PPARAPPARGPTPN1SLC6A9
SCHEMBL3973024 0.75 PPARG (0.46) PPARAPPARGALDH1A1PPARDHPGD
SCHEMBL3976202 0.74 PPARG (0.51) PPARAPPARGPPARDPTPN1SLC6A9

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-1412326-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-04-28 — — EP disclosed
WO-2003011819-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-13 — — WO disclosed