SCHEMBL8922845

SCHEMBL8922845

CCOC(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1)OCC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.46
ECE1 P42892 5/20 0.46
AGTR2 P50052 1/20 0.46
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EED O75530 1/20 0.36
MMEL1 Q495T6 2/20 0.36
LMNA P02545 1/20 0.36
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL8922872 1.00 MME (0.46) MMEECE1AGTR2KDM4EALDH1A1
SCHEMBL8924951 0.90 KDM4E (0.38) MMEECE1AGTR2KDM4EALDH1A1
SCHEMBL8924880 0.90 KDM4E (0.38) MMEECE1AGTR2KDM4EALDH1A1
SCHEMBL8921693 0.89 ECE1 (0.46) MMEECE1AGTR2MAPTMMEL1
SCHEMBL8921715 0.89 ECE1 (0.46) MMEECE1AGTR2MAPTMMEL1
SCHEMBL8921873 0.89 ITGA4 (0.38) MMEECE1AGTR2KDM4EHPGD
SCHEMBL8922274 0.88 MME (0.47) MMEECE1AGTR2MMEL1
SCHEMBL8922261 0.88 MME (0.47) MMEECE1AGTR2MMEL1
SCHEMBL8923691 0.88 ROCK2 (0.36) MMEECE1AGTR2
SCHEMBL8923716 0.88 ROCK2 (0.36) MMEECE1AGTR2

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