SCHEMBL21335481

SCHEMBL21335481

CCC(C)(CC)C(=O)NCc1cccc(CNC(=O)C(C)(CC)CC)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.58
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MMP8 P22894 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
POLB P06746 2/20 0.44
ESR1 P03372 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OPRK1 P41145 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
FBP1 P09467 1/20 0.41

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
SCHEMBL15442794 0.95 RIPK1 (0.54) RIPK1ALDH1A1HPGDMMP8NR1H4
SCHEMBL18435145 0.94 RIPK1 (0.69) RIPK1ALDH1A1HPGDMMP8NR1H4
SCHEMBL1709337 0.88 RIPK1 (0.75) RIPK1ALDH1A1MMP8OPRK1MAPT
SCHEMBL15436862 0.86 RIPK1 (0.78) RIPK1ALDH1A1HPGDMMP8NR1H4
SCHEMBL18697441 0.84 HDAC6 (0.56) RIPK1ALDH1A1HPGDMMP8NR1H4
SCHEMBL15442032 0.82 RIPK1 (0.71) RIPK1ALDH1A1HPGDMMP8NR1H4
SCHEMBL15680126 0.81 RIPK1 (0.51) RIPK1ALDH1A1HPGDMMP8NR1H4
SCHEMBL18697527 0.79 RIPK1 (0.50) RIPK1ALDH1A1POLBPKMSMN1; SMN2
SCHEMBL20363299 0.79 RIPK1 (0.67) RIPK1ALDH1A1MMP8POLBOPRK1
SCHEMBL13501586 0.77 HDAC3 (0.50) RIPK1ALDH1A1HPGDPOLBESR1

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-10407582-B2 Ink composition, image forming method, and printed matter FUJIFILM CORPORATION (JP) 2019-09-10 US disclosed