SCHEMBL9424992

SCHEMBL9424992

CC(Cl)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP2D6 P10635 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
APLNR P35414 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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
SCHEMBL4246386 0.79 CA1 (0.42) CA1CA2CA7CTSSCTSK
SCHEMBL28898391 0.79 CA1 (0.42) CA1CA2CA7CTSSCTSK
SCHEMBL4246389 0.79 CA1 (0.42) CA1CA2CA7CTSSCTSK
SCHEMBL29384392 0.78 CA12 (0.41) CA1CA2CA7CTSSCTSK
SCHEMBL6387799 0.77 CA1 (0.39) CA1CA2CA7CTSSCTSK
SCHEMBL101218 0.77 DGAT1 (0.46) CA1CA2CA7CTSKCA12
SCHEMBL9220413 0.76 CTSK (0.44) CA1CA2CA7CTSSCTSK
SCHEMBL9220407 0.76 CTSK (0.44) CA1CA2CA7CTSSCTSK
SCHEMBL14778691 0.76 CA1 (0.40) CA1CA2CA7CTSSCTSK
SCHEMBL30699980 0.76 CA2 (0.43) CA1CA2CA7CTSSCTSK

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-5354495-A Homo- or copolymerizable through ethylenic unsaturation NIPPON PAINT CO., LTD. (JP) 1994-10-11 US disclosed
EP-0177122-B1 ACRYLAMIDE DERIVATIVES Nippon Paint Co., Ltd. (JP) 1992-04-01 EP disclosed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 US disclosed
EP-0177122-A2 Acrylamide derivatives Nippon Paint Co., Ltd. (JP) 1986-04-09 EP disclosed