SCHEMBL13760107

SCHEMBL13760107

CCCCc1cc2ccc3cc(CCC)c(F)c(F)c3c2c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
TLR8 Q9NR97 6/20 0.38
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ATM Q13315 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL13760105 0.87 ATM (0.37) MAPTCTSLCTSSCTSKATM
SCHEMBL13760106 0.84 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL18220538 0.84 CTSL (0.38) TYRMEN1HTTKMT2ATP53
SCHEMBL17719291 0.81 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL26802590 0.81 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL19160913 0.79 HSD17B10 (0.33) TSHRCTSLCTSSCTSKKDM4E
SCHEMBL4813944 0.79 HMGCR (0.42) CYP3A4ALOX5CTSLCTSSCTSK
SCHEMBL19160422 0.79 MEN1 (0.37) TYRTLR8MEN1HTTKMT2A
SCHEMBL19160424 0.78 TYR (0.50) TYRTLR8MEN1HTTKMT2A
SCHEMBL20828855 0.77 ALDH1A1 (0.40) TYRMEN1HTTKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560147-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2009-07-14 US disclosed
US-7560147-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2009-07-14 US disclosed
US-20080193681-A1 Liquid-Crystal Medium MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080193681-A1 Liquid-Crystal Medium MERCK PATENT GMBH (DE) 2008-08-14 US disclosed