SCHEMBL7413380

SCHEMBL7413380

COc1cc(-c2ccccc2)ccc1C[C@H](NC(c1ccccc1)(c1ccccc1)P(=O)(O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
HTT P42858 1/20 0.39
PTPN5 P54829 3/20 0.38
ECE1 P42892 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.37
KIFC1 Q9BW19 1/20 0.37
TAS1R3 Q7RTX0 1/20 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
SCHEMBL7413391 1.00 PDCD1 (0.41) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7419799 0.81 MME (0.48) PTPN5POLBKMT2AMMP2MMP9
SCHEMBL7419793 0.81 MME (0.48) PTPN5POLBKMT2AMMP2MMP9
SCHEMBL8923760 0.80 PDCD1 (0.40) PDCD1CD274PPARGPPARAPPARD
SCHEMBL8923722 0.80 PDCD1 (0.40) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7411493 0.80 MME (0.47) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7411486 0.80 MME (0.47) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7415830 0.80 ITGA4 (0.55)
SCHEMBL7415838 0.80 ITGA4 (0.55)
SCHEMBL7411378 0.80 PTPN5 (0.45) PPARAPTPN5ECE1

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