SCHEMBL21101779

SCHEMBL21101779

CC(=O)Cc1cc(Cl)cc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.46
GRIN2B Q13224 1/20 0.42
DDR1 Q08345 3/20 0.40
TRPV1 Q8NER1 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CNR1 P21554 1/20 0.38
NOTUM Q6P988 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGDR Q13258 1/20 0.37
CSNK1D P48730 1/20 0.36
RAPGEF3 O95398 1/20 0.36
BCL2L1 Q07817 1/20 0.35
EPHX2 P34913 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3157826 0.86 FFAR4 (0.53) FFAR4GRIN2BDDR1TRPV1HDAC3
SCHEMBL3153601 0.82 POLB (0.46) FFAR4GRIN2BDDR1TRPV1HDAC3
SCHEMBL4660711 0.82 FFAR4 (0.40) FFAR4GRIN2BDDR1TRPV1HDAC3
SCHEMBL21102126 0.80 MARS1 (0.43) FFAR4GRIN2BCNR1POLB
SCHEMBL8198914 0.80 GRIN2B (0.44) FFAR4GRIN2BDDR1TRPV1HDAC3
SCHEMBL3161791 0.78 GRIN2B (0.47) FFAR4GRIN2BDDR1TRPV1HDAC3
SCHEMBL28195942 0.78 GRIN2B (0.43) FFAR4GRIN2BDDR1TRPV1HDAC3
SCHEMBL48901 0.77 IDO1 (0.43) CNR1POLB
SCHEMBL13749634 0.77 GRIN2B (0.41) FFAR4GRIN2BDDR1TRPV1HDAC3
SCHEMBL11546048 0.76 CHRM2 (0.51) CNR1

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-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed