SCHEMBL7413345

SCHEMBL7413345

Cc1cc(C)cc(OP(=O)(O)CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.46
ACE P12821 8/20 0.46
ECE1 P42892 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACE2 Q9BYF1 6/20 0.44
CPA1 P15085 5/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
GPR34 Q9UPC5 2/20 0.42

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
SCHEMBL7411238 0.91 PPARG (0.48) MMEACEECE1MEN1KMT2A
SCHEMBL7412181 0.90 MME (0.44) MMEACEECE1MEN1KMT2A
SCHEMBL8932450 0.88 MME (0.47) MMEACEECE1MEN1KMT2A
SCHEMBL7407908 0.85 KMT2A (0.47) MMEACEECE1MEN1KMT2A
SCHEMBL7415763 0.84 MME (0.49) MMEACEKMT2AGPR34
SCHEMBL7410891 0.82 FPR2 (0.46) MMEACEMEN1KMT2AACE2
SCHEMBL7413775 0.81 PPARG (0.49) MMEACEECE1ACE2CPA1
SCHEMBL8921551 0.79 ECE1 (0.47) MMEECE1
SCHEMBL7414734 0.79 ITGA4 (0.54) PPARGPPARA
SCHEMBL7411123 0.78 MME (0.62) MMEACEECE1MEN1KMT2A

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