SCHEMBL8924880

SCHEMBL8924880

CCOC(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2cccc(OC)c2)cc1)c1nnn[nH]1)OCC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MME P08473 4/20 0.38
ECE1 P42892 1/20 0.38
AGTR2 P50052 1/20 0.38
ROCK2 O75116 11/20 0.37
ROCK1 Q13464 11/20 0.37
MAPT P10636 2/20 0.37
PTPN1 P18031 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
SCHEMBL8924951 1.00 KDM4E (0.38) KDM4EUSP2ALDH1A1HPGDSMN1; SMN2
SCHEMBL8922845 0.90 MME (0.46) KDM4EALDH1A1HPGDHSD17B10MME
SCHEMBL8922872 0.90 MME (0.46) KDM4EALDH1A1HPGDHSD17B10MME
SCHEMBL8921873 0.85 ITGA4 (0.38) KDM4EHPGDSMN1; SMN2HSD17B10MME
SCHEMBL8924065 0.84 ADRB1 (0.36) KDM4EALDH1A1HPGDHSD17B10MME
SCHEMBL8924096 0.84 ADRB1 (0.36) KDM4EALDH1A1HPGDHSD17B10MME
SCHEMBL8922235 0.84 MME (0.51) MMEECE1AGTR2
SCHEMBL8922277 0.84 MME (0.51) MMEECE1AGTR2
SCHEMBL8923691 0.83 ROCK2 (0.36) MMEECE1AGTR2ROCK2ROCK1
SCHEMBL8923716 0.83 ROCK2 (0.36) MMEECE1AGTR2ROCK2ROCK1

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