SCHEMBL9010635

SCHEMBL9010635

CC(C)CCC(CN1C(=O)c2ccccc2C1=O)(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.36
CTRB1 P17538 1/20 0.36
KCNA5 P22460 1/20 0.35
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
CDC25B P30305 1/20 0.34

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
SCHEMBL5093810 0.78 RAB9A (0.41) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7373003 0.78 RAB9A (0.41) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7405615 0.78 RAB9A (0.42) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7405620 0.78 RAB9A (0.42) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8200998 0.77 MMP1 (0.38) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7377721 0.76 MMP1 (0.43) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9327794 0.75 RAB9A (0.39) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7417056 0.74 PTPN1 (0.43) SYKKLK7KLK5
SCHEMBL7298371 0.73 CYP3A4 (0.38) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7298375 0.73 CYP3A4 (0.38) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19

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
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed