SCHEMBL8608299

SCHEMBL8608299

CC=C(N)NC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.46
ALDH1A1 P00352 5/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.36
KCNH2 Q12809 4/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8606893 0.92 TNFRSF1A (0.40) TNFRSF1AALDH1A1ALOX12KDM4EGAA
SCHEMBL8608128 0.83 ALOX5 (0.45) TNFRSF1AALDH1A1GAASMN1; SMN2HTT
SCHEMBL8606767 0.82 RARA (0.50) ALDH1A1ALOX12KDM4EMAPTSMN1; SMN2
SCHEMBL8607395 0.81 TNFRSF1A (0.37) TNFRSF1AALDH1A1SMN1; SMN2SCN5ASCN2A
SCHEMBL8608659 0.79 TNFRSF1A (0.38) TNFRSF1AALDH1A1KDM4EGAAMAPT
SCHEMBL8608434 0.79 TNFRSF1A (0.36) TNFRSF1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8607178 0.78 CYP1A2 (0.44) TNFRSF1AALDH1A1KDM4EGAAMAPT
SCHEMBL8606928 0.78 TNFRSF1A (0.37) TNFRSF1AALDH1A1ALOX12KCNH2
SCHEMBL3579165 0.77 TNFRSF1A (0.51) TNFRSF1AALDH1A1SMN1; SMN2HTT
SCHEMBL8607163 0.77 GAA (0.49) TNFRSF1AALDH1A1GAAMAPTSMN1; SMN2

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-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed