SCHEMBL7438658

SCHEMBL7438658

CCC(CC)(C(=O)O)C(=O)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.68
MMP8 P22894 3/20 0.53
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
OPRK1 P41145 1/20 0.50
PPID Q08752 1/20 0.49
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL10937862 0.87 RIPK1 (0.64) RIPK1MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL10910979 0.84 RIPK1 (0.53) RIPK1MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL1709321 0.81 RIPK1 (1.00) RIPK1MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL1709337 0.81 RIPK1 (0.75) RIPK1MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL14776378 0.80 RIPK1 (0.51) RIPK1ALDH1A1MAPTSMN1; SMN2PPID
SCHEMBL25464672 0.79 RIPK1 (0.68) RIPK1MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL557055 0.79 RIPK1 (0.68) RIPK1MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL10990271 0.79 RIPK1 (0.68) RIPK1MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL7427096 0.79 RIPK1 (0.67) RIPK1MMP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL10910973 0.78 RIPK1 (0.54) RIPK1MMP8ALDH1A1MAPTSMN1; 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-5814622-A COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS ADIR ET COMPAGNIE (FR) 1998-09-29 US disclosed