SCHEMBL14819980

SCHEMBL14819980

CC(C)(OCCCS(Cl)(Cl)Cl)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CES1 P23141 2/20 0.37
SRC P12931 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
PPARA Q07869 2/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 3/20 0.34
PPARD Q03181 1/20 0.34
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 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
SCHEMBL14819981 0.94 TDP1 (0.38) LMNACES1SRCTDP1PPARA
SCHEMBL11083344 0.86 TDP1 (0.48) LMNACES1SRCTDP1PPARA
SCHEMBL11083343 0.82 CES1 (0.47) LMNACES1SRCTDP1PPARA
SCHEMBL10384825 0.81 LMNA (0.46) LMNACES1SRCTDP1PPARA
SCHEMBL10384159 0.80 TDP1 (0.43) LMNACES1SRCTDP1PPARA
SCHEMBL13139619 0.79 CES1 (0.37) LMNACES1SRCTDP1PPARA
SCHEMBL14514224 0.79 LMNA (0.55) LMNACES1SRCTDP1TSHR
SCHEMBL3469754 0.79 GAA (0.46) LMNACES1SRCTDP1PPARA
SCHEMBL15381998 0.79 TSHR (0.47) LMNACES1TSHRALDH1A1PRSS1
SCHEMBL14514222 0.79 TSHR (0.47) LMNACES1TSHRALDH1A1PRSS1

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
EP-1826564-B1 A method for producing a biosensor FUJIFILM CORP (JP) 2013-03-27 EP disclosed