SCHEMBL7363566

SCHEMBL7363566

O=C(O)c1ccc(C(=O)NC(Cc2ccccc2)CP(=O)(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.59
CTRB1 P17538 5/20 0.58
ROCK2 O75116 1/20 0.52
RPS6KA5 O75582 1/20 0.52
RPS6KA4 O75676 1/20 0.52
PRKACA P17612 1/20 0.52
MAPK1 P28482 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
IRAK1 P51617 1/20 0.52
PRKX P51817 1/20 0.52
ROCK1 Q13464 1/20 0.52
PRKG1 Q13976 1/20 0.52
PKN2 Q16513 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
SGK2 Q9HBY8 1/20 0.52
CTSL P07711 1/20 0.51
ACE P12821 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7362894 0.88 MME (0.58) PIN1CTRB1CTSLACEFOLH1
SCHEMBL7364836 0.85 ROCK2 (0.51) PIN1CTRB1ROCK2ROCK1FOLH1
SCHEMBL7443024 0.83 PIN1 (0.49) PIN1CTRB1MEN1CYP1A2KMT2A
SCHEMBL7364842 0.82 PIN1 (0.49) PIN1CTRB1ROCK2RPS6KA5RPS6KA4
SCHEMBL7365324 0.79 MME (0.66) PIN1CTRB1ACEMEN1CYP1A2
SCHEMBL10779933 0.79 PIN1 (0.61) PIN1CTRB1ROCK2RPS6KA5RPS6KA4
SCHEMBL10779929 0.79 PIN1 (0.61) PIN1CTRB1ROCK2RPS6KA5RPS6KA4
SCHEMBL7370588 0.77 MME (0.59) ACE
SCHEMBL7367162 0.76 NAALAD2 (0.58) FOLH1MEN1KMT2A
SCHEMBL7363491 0.76 TAAR1 (0.59) PIN1CTRB1MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117429-B1 PHOSPHOROUS CONTAINING COMPOUNDS AS INHIBITORS OF ENKEPHALINASES SCHERING CORPORATION (US) 1987-09-02 EP claimed
EP-0117429-A1 Phosphorous containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1984-09-05 EP claimed
EP-0117429-B1 PHOSPHOROUS CONTAINING COMPOUNDS AS INHIBITORS OF ENKEPHALINASES SCHERING CORPORATION (US) 1987-09-02 EP disclosed
EP-0117429-A1 Phosphorous containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1984-09-05 EP disclosed