SCHEMBL8921663

SCHEMBL8921663

CCOC(=O)CC(CC(=O)OCC)(NC(Cc1ccc(-c2cccc(OC)c2)cc1)C(=O)O)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.45
SLC13A5 Q86YT5 1/20 0.43
PTGDR Q13258 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
PTPN1 P18031 1/20 0.41
TPH1 P17752 2/20 0.40
TPH2 Q8IWU9 2/20 0.40
GPR34 Q9UPC5 1/20 0.39
MMEL1 Q495T6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL8921641 1.00 MME (0.45) MMESLC13A5PTGDRITGB3ITGAV
SCHEMBL7413308 0.89 MME (0.46) MMEITGB3ITGAV
SCHEMBL7413316 0.89 MME (0.46) MMEITGB3ITGAV
SCHEMBL8923071 0.83 ITGA4 (0.52)
SCHEMBL8923019 0.83 ITGA4 (0.52)
SCHEMBL8923760 0.82 PDCD1 (0.40)
SCHEMBL8923722 0.82 PDCD1 (0.40)
SCHEMBL7411137 0.81 ITGA4 (0.42)
SCHEMBL7411125 0.81 ITGA4 (0.42)
SCHEMBL7414211 0.80 MEN1 (0.43) ITGB3ITGAVGPR34MMEL1

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-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP 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