SCHEMBL9563873

SCHEMBL9563873

CCCCCCCCCCCCC(CCCCCCCC)CCCc1ccc(-c2ccc(-c3ccccc3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PPARA Q07869 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
RARB P10826 1/20 0.35
HSD11B1 P28845 2/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
LIPG Q9Y5X9 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
SCHEMBL9563920 1.00 CYSLTR2 (0.36) CYSLTR2CYSLTR1PPARACTSLCTSS
SCHEMBL9563819 1.00 CYSLTR2 (0.36) CYSLTR2CYSLTR1PPARACTSLCTSS
SCHEMBL9563795 0.99 CYSLTR2 (0.36) CYSLTR2CYSLTR1PPARACTSLCTSS
SCHEMBL9563919 0.99 CYSLTR2 (0.36) CYSLTR2CYSLTR1PPARACTSLCTSS
SCHEMBL9563765 0.97 PPARA (0.36) CYSLTR2CYSLTR1PPARACTSLCTSS
SCHEMBL9563720 0.95 PRSS1 (0.36) CYSLTR2CYSLTR1PPARACTSLCTSS
SCHEMBL9563888 0.91 CTSL (0.34) CYSLTR2CYSLTR1PPARACTSLCTSS
SCHEMBL9563783 0.91 CTSL (0.34) CYSLTR2CYSLTR1PPARACTSLCTSS
SCHEMBL9563735 0.90 ALDH1A1 (0.36) PPARACTSLCTSSCTSKHSD11B1
SCHEMBL9563984 0.90 CTSL (0.35) CYSLTR2CYSLTR1PPARACTSLCTSS

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