SCHEMBL9402740

SCHEMBL9402740

CONC(=O)c1ccc(C)c(C(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.40
▸ MAPK11 Q15759 7/20 0.40
▸ MAPK13 O15264 6/20 0.40
▸ MAPK12 P53778 6/20 0.40
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ ELANE P08246 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
SCHEMBL9359013 0.83 ELANE (0.39) ELANE
SCHEMBL9184350 0.81 MAPT (0.44) HDAC1
SCHEMBL9402745 0.79 TDP1 (0.44) ELANE
SCHEMBL9402882 0.77 MAPT (0.43) ELANE
SCHEMBL9402776 0.77 KDM4E (0.47) ELANE
SCHEMBL9402700 0.76 MAPT (0.50) ELANE
SCHEMBL9402620 0.76 MAPT (0.46) ELANE
SCHEMBL1074876 0.76 TDP1 (0.52) HDAC8HDAC1HDAC6HDAC3
SCHEMBL9402614 0.76 CYP1A2 (0.41) HDAC1
SCHEMBL12764358 0.74 TAS1R3 (0.55) MAPK14MAPK11MAPK13MAPK12HDAC8

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-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 — — US disclosed
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