SCHEMBL7269259

SCHEMBL7269259

CON(C)[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
LAP3 P28838 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SRR Q9GZT4 2/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM1 P11229 1/20 0.41
ABCB1 P08183 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 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
Trifluoroacetic Acid SCHEMBL9725813 0.93 CTRB1 (0.45) EPHX1LAP3ALDH1A1MAPTSRR
SCHEMBL1432589 0.83 ALDH1A1 (0.58) EPHX1ALDH1A1MAPTSRRALPI
SCHEMBL3901603 0.83 ALDH1A1 (0.58) EPHX1ALDH1A1MAPTSRRALPI
SCHEMBL20791653 0.83 ALDH1A1 (0.58) EPHX1ALDH1A1MAPTSRRALPI
Hydrochloric Acid SCHEMBL6895837 0.81 ALDH1A1 (0.60) EPHX1ALDH1A1MAPTSRRALPI
SCHEMBL7789794 0.80 EPHX1 (0.44) EPHX1LAP3ALDH1A1MAPTSRR
SCHEMBL7064891 0.80 EPHX1 (0.50) EPHX1ALDH1A1MAPTSRRALPI
SCHEMBL900942 0.79 ADRA2B (0.54) EPHX1ALDH1A1MAPTALPIPKM
SCHEMBL4463351 0.79 EPHX1 (0.49) EPHX1ALDH1A1MAPTALPIPKM
SCHEMBL17992751 0.79 EPHX1 (0.49) EPHX1ALDH1A1MAPTSRRALPI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed