SCHEMBL8921652

SCHEMBL8921652

CCOC(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2cccc(OC)c2)cc1)C(=O)O)OCC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.45
PTGDR Q13258 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
GPR34 Q9UPC5 2/20 0.41
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TPH1 P17752 2/20 0.40
TPH2 Q8IWU9 2/20 0.40
C3AR1 Q16581 1/20 0.40

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
SCHEMBL7413312 0.89 MME (0.45) MMEITGB3ITGAVGPR34
SCHEMBL7419794 0.83 MME (0.50) MMEPTGDRITGB3ITGAVGPR34
SCHEMBL8923043 0.83 ITGA4 (0.51)
SCHEMBL8924951 0.82 KDM4E (0.38) MMEPTPN1
SCHEMBL8924880 0.82 KDM4E (0.38) MMEPTPN1
SCHEMBL8923729 0.82 PDCD1 (0.42) POLBKMT2A
SCHEMBL7417475 0.82 MME (0.53) MMEPTGDRITGB3ITGAVFFAR1
SCHEMBL7417467 0.82 MME (0.53) MMEPTGDRITGB3ITGAVFFAR1
SCHEMBL7411130 0.81 ITGA4 (0.42) MMEKMT2A
SCHEMBL7415659 0.80 KMT2A (0.48) MMEPTGDRPOLBGAAKMT2A

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 5 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