SCHEMBL6804726

SCHEMBL6804726

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
ALOX5 P09917 1/20 0.38
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP1 P03956 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 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
SCHEMBL6803242 0.91 NPSR1 (0.43) ALOX5MMP2MMP3MMP7MMP1
SCHEMBL4421716 0.90 MMP8 (0.42) HSD17B10MMP8MMP2MMP3MMP7
SCHEMBL6798658 0.90 ALOX5 (0.38) ALOX5MMP8MMP2MMP3MMP7
SCHEMBL6801586 0.89 CAPN1 (0.36) ALOX5MMP2MMP3MMP7NPSR1
SCHEMBL6802521 0.89 REN (0.36) HSD17B10MMP8MMP2MMP3L3MBTL1
SCHEMBL7376767 0.88 MMP2 (0.41) ALOX5MMP2MMP3MMP7HPGD
SCHEMBL4431971 0.82 CTSB (0.42) MMP8MMP2MMP3MMP7MMP1
SCHEMBL4428169 0.82 NPSR1 (0.43) MMP8MMP2MMP3MMP7MMP1
SCHEMBL4431902 0.81 MMP2 (0.39) MMP8MMP2MMP3MMP7MMP1
SCHEMBL4425332 0.81 MMP2 (0.39) MMP8MMP2MMP3MMP7MMP1

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