SCHEMBL18902166

SCHEMBL18902166

CNNC(C)(C)C(=O)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 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
SCHEMBL15630541 0.78 SIGMAR1 (0.37) SIGMAR1TSHRCA12CA1CA2
SCHEMBL24368331 0.76 SIGMAR1 (0.33) SIGMAR1TSHRCA12CA1CA2
SCHEMBL152945 0.74 SIGMAR1 (0.40) SIGMAR1TSHRCA12CA1CA2
SCHEMBL24458985 0.73 SIGMAR1 (0.37) SIGMAR1TSHRCA12CA1CA2
SCHEMBL10145220 0.72 SIGMAR1 (0.39) SIGMAR1TSHRCA12CA1CA2
SCHEMBL749946 0.71 RIPK1 (0.47) SIGMAR1TSHRCA12CA1CA2
SCHEMBL618916 0.71 SIGMAR1 (0.36) SIGMAR1TSHRCA12CA1CA2
SCHEMBL24567506 0.70 TSHR (0.42) SIGMAR1TSHRCA12CA1CA2
SCHEMBL19449450 0.70 MLYCD (0.39) SIGMAR1TSHRCA12CA1CA2
SCHEMBL23188091 0.70 MLYCD (0.39) SIGMAR1TSHRCA12CA1CA2

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-3034527-B1 Cover net systems for encapsulation films comprising bis-(alkenylamide) compounds EVONIK DEGUSSA GMBH (DE) 2017-05-31 EP disclosed