SCHEMBL6803233

SCHEMBL6803233

C=C(C(=O)O)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.52
MME P08473 1/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTSB P07858 1/20 0.48
BIRC2 Q13490 1/20 0.47
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
MMP7 P09237 3/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
MMP1 P03956 3/20 0.46
FCER2 P06734 2/20 0.46
MMP3 P08254 2/20 0.46

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
SCHEMBL6804766 0.79 MMP9 (0.64) MMP8MMEBIRC2MMP2MMP9
SCHEMBL22995973 0.79 ALDH1A1 (0.59) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4421988 0.77 MMP2 (0.79) MMP8BIRC2MMP2MMP9MMP7
SCHEMBL4431930 0.77 MMP1 (0.73) MMP8BIRC2MMP2MMP9MMP7
SCHEMBL6797912 0.76 MMP2 (0.65) MMP8MMP2MMP9MMP7MMP12
SCHEMBL5812998 0.76 TACR1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL5813004 0.76 TACR1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL4420997 0.75 MMP9 (0.64) MMP8BIRC2MMP2MMP9MMP7
SCHEMBL4431907 0.75 MMP2 (0.78) MMP8MMP2MMP9MMP7MMP12
SCHEMBL4425335 0.75 MMP2 (0.78) MMP8MMP2MMP9MMP7MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP disclosed
US-6169075-B1 ANTITUMOR AGENT INHIBITING THE PROLIFERATION OF A RANGE OF RAPIDLY DIVIDING TUMOUR CELLS LIKE MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-02 US disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed