SCHEMBL9563765

SCHEMBL9563765

CCCCCC(CCCC)CCCc1ccc(-c2ccc(-c3ccccc3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HSD11B1 P28845 2/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
CYP17A1 P05093 1/20 0.33
RARB P10826 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GCGR P47871 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL9563919 0.99 CYSLTR2 (0.36) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563795 0.99 CYSLTR2 (0.36) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563819 0.97 CYSLTR2 (0.36) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563920 0.97 CYSLTR2 (0.36) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563873 0.97 CYSLTR2 (0.36) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563720 0.93 PRSS1 (0.36) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563735 0.92 ALDH1A1 (0.36) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563984 0.90 CTSL (0.35) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563783 0.89 CTSL (0.34) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563888 0.89 CTSL (0.34) PPARACTSLCTSSCTSKHSD11B1

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
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed