SCHEMBL7412181

SCHEMBL7412181

Cc1cc(C)cc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)Oc2cc(C)cc(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.44
ACE P12821 7/20 0.44
ACE2 Q9BYF1 6/20 0.44
CPA1 P15085 5/20 0.44
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
GPR34 Q9UPC5 2/20 0.43
ECE1 P42892 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7413775 0.91 PPARG (0.49) MMEACEACE2CPA1PPARG
SCHEMBL7413345 0.90 MME (0.46) MMEACEACE2CPA1PPARG
SCHEMBL7407175 0.88 MME (0.48) MMEACEACE2CPA1PPARG
SCHEMBL7308604 0.86 MMEL1 (0.52)
SCHEMBL7415659 0.84 KMT2A (0.48) MMEACEACE2CPA1KMT2A
SCHEMBL7419794 0.84 MME (0.50) MMEGPR34MEN1KMT2A
SCHEMBL7348038 0.82 MME (0.51) MMEACEACE2CPA1
SCHEMBL7322712 0.82 MME (0.51) MMEACEACE2CPA1
SCHEMBL31510352 0.81 ANPEP (0.48) MMEACEACE2CPA1ECE1
SCHEMBL7411238 0.81 PPARG (0.48) MMEACEACE2CPA1PPARG

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 3 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
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed