SCHEMBL8104975

SCHEMBL8104975

CC(C(=O)NC(C)(C(C)C)C(C)O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 4/20 0.44
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PRCP P42785 2/20 0.38
ACKR3 P25106 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
P2RX7 Q99572 1/20 0.37
TRPA1 O75762 1/20 0.37
BRD4 O60885 1/20 0.37
CXCL8 P10145 1/20 0.36

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
SCHEMBL7638474 0.79 FFAR2 (0.44) FFAR2HDAC4HDAC7HDAC5PRCP
SCHEMBL7220058 0.79 FFAR2 (0.44) FFAR2HDAC4HDAC7HDAC5ACKR3
SCHEMBL7638122 0.77 FFAR2 (0.42) FFAR2HDAC4HDAC7HDAC5ACKR3
SCHEMBL7219260 0.77 ANO1 (0.42) FFAR2HDAC4HDAC7HDAC5ACKR3
SCHEMBL7220927 0.74 FFAR2 (0.40) FFAR2HDAC4HDAC7HDAC5ACKR3
SCHEMBL26955949 0.73 FFAR2 (0.68) FFAR2HDAC4HDAC7HDAC5TRPV1
SCHEMBL7215585 0.72 FFAR2 (0.39) FFAR2ACKR3TRPV1
SCHEMBL8100402 0.72 FFAR2 (0.43) FFAR2HDAC4HDAC7HDAC5TRPV1
SCHEMBL7220062 0.71 MEN1 (0.43) FFAR2HDAC4HDAC7HDAC5ACKR3
SCHEMBL7216269 0.71 MEN1 (0.38) FFAR2ACKR3TRPV1

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
JP-2000169438-A ARYLACETAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL GERMICIDE KUMIAI CHEM IND CO LTD 2000-06-20 JP disclosed