SCHEMBL10936211

SCHEMBL10936211

CCCC(C#N)(CCC)C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
MCL1 Q07820 1/20 0.53
MMP8 P22894 3/20 0.47
EPHX2 P34913 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
PPID Q08752 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PLIN1 O60240 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10938223 0.92 RIPK1 (0.52) RIPK1MCL1MMP8EPHX2CYP3A4
SCHEMBL10936628 0.88 RIPK1 (0.62) RIPK1MCL1MMP8EPHX2CYP3A4
SCHEMBL19176844 0.78 RIPK1 (0.76) RIPK1MMP8EPHX2CYP3A4CYP2C19
SCHEMBL20363299 0.76 RIPK1 (0.67) RIPK1MMP8EPHX2CYP3A4CYP2C19
SCHEMBL5693586 0.76 RIPK1 (0.58) RIPK1MMP8EPHX2CYP3A4CYP2C19
SCHEMBL5606082 0.76 RIPK1 (0.58) RIPK1MMP8EPHX2CYP3A4CYP2C19
SCHEMBL10936611 0.75 RIPK1 (0.56) RIPK1MMP8EPHX2CYP3A4CYP2C19
SCHEMBL20363329 0.73 RIPK1 (0.62) RIPK1MMP8EPHX2CYP3A4CYP2C19
SCHEMBL1516186 0.72 RIPK1 (0.71) RIPK1MMP8CYP3A4CYP2C19OPRK1
SCHEMBL1709321 0.71 RIPK1 (1.00) RIPK1MMP8EPHX2OPRK1SMN1; 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-4537781-A Pharmaceutically useful malonamides RESEARCH CORPORATION (US) 1985-08-27 US disclosed