SCHEMBL10705256

SCHEMBL10705256

COC(=O)[C@H](N)CN(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
LTA4H P09960 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KIF11 P52732 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABCB1 P08183 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
BACE1 P56817 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL6276163 0.83 CA14 (0.36) HDAC3HDAC1HDAC2NCOR2KIF11
SCHEMBL7265609 0.78 L3MBTL1 (0.46) LTA4HL3MBTL1SLC7A5
SCHEMBL28131444 0.77 L3MBTL1 (0.43) SYKLTA4HHDAC3HDAC1HDAC2
SCHEMBL8174634 0.76 KYNU (0.48) SYKBACE1ALDH1A1
SCHEMBL8693309 0.75 LTA4H (0.41) SYKLTA4HSMN1; SMN2ABCB1L3MBTL1
SCHEMBL6648512 0.75 ALDH1A1 (0.49) SYKHDAC3HDAC1HDAC2NCOR2
SCHEMBL7575306 0.75 SYK (0.50) SYKSMN1; SMN2BACE1ALDH1A1
SCHEMBL1937057 0.75 ABCB1 (0.46) SYKLTA4HABCB1L3MBTL1ITGA4
SCHEMBL29077734 0.74 L3MBTL1 (0.50) SYKHDAC3HDAC1HDAC2NCOR2
SCHEMBL6559401 0.74 CCR6 (0.44) SYKLTA4HHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 US disclosed
US-4511504-A COLLAGENASE INHIBITORS G.D. SEARLE & CO. (US) 1985-04-16 US disclosed
EP-0126974-A1 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1984-12-05 EP disclosed