Sugi Predict

Sugi Predict / Compounds / SCHEMBL2851882

SCHEMBL2851882

SCHEMBL2851882

CCCc1cc(C(=O)CC)ccc1-c1cc(OC(C)c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 16/20 0.41
▸ PPARG P37231 16/20 0.41
▸ PPARD Q03181 3/20 0.34
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL2858865 0.92 PPARG (0.43) PPARAPPARGPPARDLTB4RLTB4R2
SCHEMBL2852529 0.87 PPARA (0.37) PPARAPPARGPPARDLTB4RLTB4R2
SCHEMBL2855102 0.81 PPARA (0.37) PPARAPPARGPPARD
SCHEMBL2863419 0.73 RAB9A (0.42) PPARAPPARG
SCHEMBL2858262 0.70 VDR (0.43) PPARAPPARG
SCHEMBL2856305 0.70 PPARG (0.37) PPARAPPARG
SCHEMBL2855027 0.69 HTT (0.41) PPARAPPARG
SCHEMBL2863416 0.68 VDR (0.58) PPARAPPARGPPARD
SCHEMBL2858864 0.66 VDR (0.49) PPARAPPARG
SCHEMBL2854602 0.66 ALDH1A1 (0.39) PPARAPPARG

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
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 — — EP disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 — — EP disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 — — WO disclosed