SCHEMBL7411486

SCHEMBL7411486

COc1cc(-c2ccccc2)ccc1C[C@H](NCP(=O)(O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.47
ACE P12821 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
ECE1 P42892 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PPARD Q03181 2/20 0.41
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL7411493 1.00 MME (0.47) MMEACEPDCD1CD274ECE1
SCHEMBL7418112 0.88 PDCD1 (0.43) MMEACEPDCD1CD274MEN1
SCHEMBL7413383 0.87 CD274 (0.44) PDCD1CD274MEN1KMT2AHTT
SCHEMBL7348411 0.85 MMEL1 (0.45) MMEACEECE1
SCHEMBL7418109 0.83 ACP3 (0.44) PDCD1CD274ECE1MEN1KMT2A
SCHEMBL8923729 0.82 PDCD1 (0.42) PDCD1CD274MEN1KMT2AHTT
SCHEMBL7413391 0.80 PDCD1 (0.41) PDCD1CD274ECE1MEN1KMT2A
SCHEMBL7413380 0.80 PDCD1 (0.41) PDCD1CD274ECE1MEN1KMT2A
SCHEMBL8920227 0.78 ECE1 (0.46) MMEECE1ADRB1ADRB3
SCHEMBL8920285 0.78 ECE1 (0.46) MMEECE1ADRB1ADRB3

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 6 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
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed