SCHEMBL8921873

SCHEMBL8921873

CCOC(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2OC)cc1)c1nnn[nH]1)OCC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.38
ITGB7 P26010 8/20 0.38
ITGB1 P05556 7/20 0.38
PTPN1 P18031 1/20 0.37
MME P08473 2/20 0.37
MMEL1 Q495T6 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ECE1 P42892 1/20 0.36
AGTR2 P50052 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8921923 1.00 ITGA4 (0.38) ITGA4ITGB7ITGB1PTPN1MME
SCHEMBL8923716 0.91 ROCK2 (0.36) PTPN1MMEPPARGPPARAECE1
SCHEMBL8923691 0.91 ROCK2 (0.36) PTPN1MMEPPARGPPARAECE1
SCHEMBL8922845 0.89 MME (0.46) MMEMMEL1ECE1AGTR2KDM4E
SCHEMBL8922872 0.89 MME (0.46) MMEMMEL1ECE1AGTR2KDM4E
SCHEMBL8924880 0.85 KDM4E (0.38) PTPN1MMEECE1AGTR2KDM4E
SCHEMBL8924951 0.85 KDM4E (0.38) PTPN1MMEECE1AGTR2KDM4E
SCHEMBL8922567 0.84 ECE1 (0.49) ITGA4ITGB7ITGB1MMEMMEL1
SCHEMBL8922631 0.84 ECE1 (0.49) ITGA4ITGB7ITGB1MMEMMEL1
SCHEMBL8924065 0.83 ADRB1 (0.36) MMEPPARGPPARAECE1AGTR2

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
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-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed