SCHEMBL8923722

SCHEMBL8923722

CCOC(=O)CC(CC(=O)OCC)(N[C@@H](Cc1ccc(-c2ccccc2)cc1OC)C(=O)O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.36
HTT P42858 2/20 0.35
SCN9A Q15858 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8923760 1.00 PDCD1 (0.40) PDCD1CD274PPARGPPARAPPARD
SCHEMBL7413316 0.84 MME (0.46)
SCHEMBL7413308 0.84 MME (0.46)
SCHEMBL7411125 0.82 ITGA4 (0.42) PPARGPPARA
SCHEMBL8923071 0.82 ITGA4 (0.52)
SCHEMBL8923019 0.82 ITGA4 (0.52)
SCHEMBL7411137 0.82 ITGA4 (0.42) PPARGPPARA
SCHEMBL8921663 0.82 MME (0.45)
SCHEMBL8921641 0.82 MME (0.45)
SCHEMBL7413380 0.80 PDCD1 (0.41) PDCD1CD274PPARGPPARAPPARD

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