SCHEMBL7418112

SCHEMBL7418112

COc1cc(-c2ccccc2)ccc1C[C@H](NCP(=O)(O)Oc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
PPARD Q03181 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HTT P42858 1/20 0.38
SCN9A Q15858 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL7413383 0.91 CD274 (0.44) PDCD1CD274MMP2MMP9PPARG
SCHEMBL7411486 0.88 MME (0.47) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7411493 0.88 MME (0.47) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7415763 0.83 MME (0.49) MMP2MMP9POLBKMT2AMME
SCHEMBL8932450 0.81 MME (0.47) PPARGPPARAKMT2AMMEACE
SCHEMBL7414734 0.80 ITGA4 (0.54) PPARGPPARA
SCHEMBL7413502 0.80 ECE1 (0.44) PPARAKMT2AMMEMEN1
SCHEMBL8921339 0.80 MME (0.37) PDCD1CD274TAS1R3TAS1R1ADRB1
SCHEMBL8921331 0.80 MME (0.37) PDCD1CD274TAS1R3TAS1R1ADRB1
SCHEMBL7407908 0.80 KMT2A (0.47) POLBKMT2AMMEACEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed