SCHEMBL20146697

SCHEMBL20146697

COC(=O)[C@H](C)N(C(=O)C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
CA12 O43570 2/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PLA2G1B P04054 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
KCNA5 P22460 1/20 0.31
BCL2L1 Q07817 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL11486139 0.77 SMN1; SMN2 (0.39) CA14SMN1; SMN2CA12TSHRALDH1A1
SCHEMBL1647708 0.75 P2RX4 (0.31) KCNA5
SCHEMBL20126020 0.74 MEN1 (0.38) CA14SMN1; SMN2CA12TSHRALDH1A1
SCHEMBL8989920 0.74 CA14 (0.35) CA14SMN1; SMN2CA12TSHRALDH1A1
SCHEMBL4185593 0.71 SMN1; SMN2 (0.46) CA14SMN1; SMN2CA12TSHRALDH1A1
SCHEMBL23065552 0.70 CA14 (0.43) CA14SMN1; SMN2CA12TSHRALDH1A1
SCHEMBL196927 0.69
SCHEMBL10693470 0.69 SMN1; SMN2 (0.44) CA14SMN1; SMN2CA12TSHRALDH1A1
SCHEMBL196928 0.69
Hydrochloric Acid SCHEMBL30281004 0.67 SMN1; SMN2 (0.42) CA14SMN1; SMN2CA12TSHRALDH1A1

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-3321333-A1 CURABLE COMPOSITION, CURABLE INK, ACCOMMODATING CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, CURED MATTER, AND ACRYLAMIDE COMPOUND Ricoh Company Ltd. (JP) 2018-05-16 EP disclosed