SCHEMBL8923142

SCHEMBL8923142

COc1cccc(-c2ccc(C[C@H](NCP(=O)(O)Oc3ccccc3)c3nnn[nH]3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.45
ECE1 P42892 5/20 0.45
AGTR2 P50052 1/20 0.45
HCAR2 Q8TDS4 1/20 0.39
IDH1 O75874 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP1 P03956 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
XDH P47989 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL8923159 1.00 MME (0.45) MMEECE1AGTR2HCAR2IDH1
SCHEMBL8921967 0.96 MME (0.46) MMEECE1AGTR2HCAR2POLB
SCHEMBL8921961 0.96 MME (0.46) MMEECE1AGTR2HCAR2POLB
SCHEMBL8920944 0.92 ECE1 (0.52) MMEECE1AGTR2
SCHEMBL8920954 0.92 ECE1 (0.52) MMEECE1AGTR2
SCHEMBL8922375 0.91 MME (0.42) MMEECE1AGTR2HCAR2POLB
SCHEMBL8922366 0.91 MME (0.42) MMEECE1AGTR2HCAR2POLB
SCHEMBL8922277 0.90 MME (0.51) MMEECE1AGTR2IDH1XDH
SCHEMBL8922235 0.90 MME (0.51) MMEECE1AGTR2IDH1XDH
SCHEMBL8923075 0.89 ECE1 (0.46) MMEECE1AGTR2

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-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed