SCHEMBL6798668

SCHEMBL6798668

COCCOC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
ALOX15 P16050 1/20 0.62
TACR1 P25103 2/20 0.62
CTSL P07711 5/20 0.60
CTSB P07858 2/20 0.60
CTSS P25774 2/20 0.60
CTSK P43235 2/20 0.60
KYNU Q16719 1/20 0.55
TYR P14679 1/20 0.55
CTRB1 P17538 2/20 0.54

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
SCHEMBL28697410 0.88 KYNU (0.54) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL22975081 0.88 KYNU (0.54) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL329686 0.88 ALDH1A1 (0.74) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL7151822 0.88 ALDH1A1 (0.74) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL15080871 0.87 TACR1 (0.68) ALDH1A1ALOX15TACR1CTSLCTSB
Hydrochloric Acid SCHEMBL29368816 0.87 KYNU (0.53) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL12026887 0.87 ALDH1A1 (0.54) ALDH1A1ALOX15TACR1CTSLCTSB
Hydrochloric Acid SCHEMBL7928050 0.86 ALDH1A1 (0.72) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL6440666 0.85 CTSL (0.64) ALDH1A1ALOX15TACR1CTSLCTSB
SCHEMBL6440663 0.85 CTSL (0.64) ALDH1A1ALOX15TACR1CTSLCTSB

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