SCHEMBL7288121

SCHEMBL7288121

CCCCOC(=O)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CTSC P53634 1/20 0.45
GAA P10253 1/20 0.45
CTSL P07711 1/20 0.44

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
SCHEMBL10873146 0.86 MMP8 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2734875 0.83 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL216480 0.83 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL31303644 0.82 CYP3A4 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5906855 0.82 CTRB1 (0.54) CTSKALPIPKMPTGS1XIAP
SCHEMBL5906852 0.82 CTRB1 (0.54) CTSKALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL216479 0.82 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL5281599 0.82 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3625128 0.82 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27575973 0.82 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5

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-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed