SCHEMBL6320406

SCHEMBL6320406

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.63
LTA4H P09960 1/20 0.54
CTSL P07711 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CTSH P09668 1/20 0.48
CYP2D6 P10635 1/20 0.48
CTSK P43235 1/20 0.48
ANPEP P15144 2/20 0.48
RNPEP Q9H4A4 2/20 0.48
DNPEP Q9ULA0 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
MME P08473 1/20 0.47

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
SCHEMBL3497465 1.00 CTSC (0.63) CTSCLTA4HCTSLCYP1A2CYP3A4
SCHEMBL3497000 0.89 CTSC (0.59) CTSCLTA4HCTSLCYP1A2CYP3A4
SCHEMBL8863955 0.89 CTSC (0.59) CTSCLTA4HCTSLCYP1A2CYP3A4
SCHEMBL6265571 0.89 CTSC (0.59) CTSCLTA4HCTSLCYP1A2CYP3A4
SCHEMBL583121 0.87 CTSC (0.76) CTSCLTA4HCYP1A2CYP3A4CTSH
SCHEMBL583122 0.87 CTSC (0.76) CTSCLTA4HCYP1A2CYP3A4CTSH
SCHEMBL1691349 0.87 CTSC (0.76) CTSCLTA4HCYP1A2CYP3A4CTSH
SCHEMBL9389290 0.87 CTSC (0.76) CTSCLTA4HCYP1A2CYP3A4CTSH
SCHEMBL9144573 0.87 CTSC (0.76) CTSCLTA4HCYP1A2CYP3A4CTSH
SCHEMBL6313096 0.86 ANPEP (0.58) CTSCLTA4HANPEPRNPEPDNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515684-A2 CARE AND/OR MAKE-UP COSMETIC COMPOSITION STRUCTURED WITH SILICONE POLYMERS AND ORGANOGELLING AGENTS, IN RIGID FORM L'OREAL (FR) 2005-03-23 EP claimed
WO-2003105788-A2 CARE AND/OR MAKE-UP COSMETIC COMPOSITION STRUCTURED WITH SILICONE POLYMERS AND ORGANOGELLING AGENTS, IN RIGID FORM L'OREAL (FR) 2003-12-24 WO claimed
CN-104203956-B Functionalized thienoindole derivatives for the treatment of cancer 内尔维阿诺医学科学有限公司 2017-03-29 CN disclosed
EP-0162877-A1 Method to titrate enzymes. FLORK MICHEL (FR) 1985-12-04 EP disclosed
WO-1985002404-A1 NEW PEPTIDE DERIVATIVES, PREPARATION PROCESS THEREOF AND UTILIZATION THEREOF AS BIOLOGICAL REAGENTS FLORK MICHEL 1985-06-06 WO disclosed
US-4111923-A LUTEINIZING HORMONE RELEASING FACTOR ANTAGONISTS PARKE, DAVIS & COMPANY (US) 1978-09-05 US disclosed
US-4086219-A LUTEINIZING HORMONE RELEASING FACTOR ANTAGONISTS PARKE, DAVIS & COMPANY (US) 1978-04-25 US disclosed