SCHEMBL8198518

SCHEMBL8198518

CC(NC(=O)C(CNC(=O)O)Cc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.63
MMP8 P22894 3/20 0.63
MMP2 P08253 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.53
APAF1 O14727 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACE P12821 2/20 0.53
ECE1 P42892 6/20 0.53
CTSL P07711 1/20 0.51

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
SCHEMBL28747928 0.85 MMP9 (0.63) MMP9MMP8MMP2MEN1KMT2A
SCHEMBL7677247 0.84 MMP9 (0.74) MMP9MMP8MMP2MEN1KMT2A
SCHEMBL8201151 0.83 MMP9 (0.80) MMP9MMP8MMP2MEN1KMT2A
SCHEMBL8201153 0.83 MMP9 (0.80) MMP9MMP8MMP2MEN1KMT2A
SCHEMBL8850370 0.83 MMP9 (0.80) MMP9MMP8MMP2MEN1KMT2A
SCHEMBL8850751 0.82 MMP9 (0.60) MMP9MMP8MMP2MEN1KMT2A
SCHEMBL8850747 0.82 MMP9 (0.60) MMP9MMP8MMP2MEN1KMT2A
SCHEMBL7064069 0.82 MMP9 (0.68) MMP9MMP8MMP2MEN1KMT2A
SCHEMBL6431194 0.81 ECE1 (0.79) MMP9MMP8MMP2ACEECE1
SCHEMBL1388789 0.81 MMP9 (0.58) MMP9MMP8MMP2MEN1KMT2A

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-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP claimed
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO disclosed