SCHEMBL18907918

SCHEMBL18907918

CCCCOc1ccc(F)cc1[C@H](COC(=O)CCC)OCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
AKR1C3 P42330 1/20 0.34
CYSLTR2 Q9NS75 3/20 0.33
CYSLTR1 Q9Y271 3/20 0.33
PPARG P37231 5/20 0.33
P2RY10 O00398 6/20 0.33
GPR174 Q9BXC1 5/20 0.33
GPR34 Q9UPC5 4/20 0.33
PPARA Q07869 2/20 0.31
PPARD Q03181 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL18821193 0.93 KDM4E (0.33) PPARG
SCHEMBL18907920 0.86 PTGDR2 (0.34) PTGDR2AKR1C3CYSLTR2CYSLTR1PPARG
SCHEMBL18907913 0.81 CNR2 (0.37) CYSLTR2CYSLTR1PPARG
SCHEMBL18821417 0.80 PPARG (0.37) CYSLTR2CYSLTR1PPARGP2RY10GPR174
SCHEMBL18821243 0.79 NR3C2 (0.36)
SCHEMBL18907696 0.77 FAAH (0.38) CYSLTR2CYSLTR1PPARG
SCHEMBL18821192 0.77 NR3C2 (0.36)
SCHEMBL18820728 0.77 NR3C2 (0.36)
SCHEMBL18883374 0.76 ACACB (0.32)
SCHEMBL18972304 0.75 SLC6A9 (0.43) AKR1C3PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed