SCHEMBL7415653

SCHEMBL7415653

COc1cccc(C(N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)(c2cccc(OC)c2)P(=O)(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.45
GPR34 Q9UPC5 2/20 0.45
PTGDR Q13258 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ACE P12821 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
KIFC1 Q9BW19 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
ACP3 P15309 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
CPA1 P15085 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
SCHEMBL7415667 1.00 MME (0.45) MMEGPR34PTGDRPOLBGAA
SCHEMBL7419793 0.95 MME (0.48) MMEGPR34PTGDRPOLBGAA
SCHEMBL7419799 0.95 MME (0.48) MMEGPR34PTGDRPOLBGAA
SCHEMBL7341732 0.87 MMEL1 (0.48) MME
SCHEMBL7413785 0.86 PTPN5 (0.46) MMEGPR34ACEACE2KIFC1
SCHEMBL7413773 0.86 PTPN5 (0.46) MMEGPR34ACEACE2KIFC1
SCHEMBL7407179 0.85 MME (0.50) MMEACEACE2ACP3CPA1
SCHEMBL7407171 0.85 MME (0.50) MMEACEACE2ACP3CPA1
SCHEMBL7412188 0.81 MME (0.47) MMEGPR34ACEACE2CPA1
SCHEMBL7412178 0.81 MME (0.47) MMEGPR34ACEACE2CPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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