SCHEMBL11335166

SCHEMBL11335166

CC(C)Cc1cccc(C(=O)CBr)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.49
PTPN1 P18031 2/20 0.48
FOLH1 Q04609 5/20 0.44
SLC7A5 Q01650 2/20 0.42
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
MAP1LC3A Q9H492 1/20 0.42
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8098358 0.84 FOLH1 (0.47) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL29478099 0.81 SLC7A5 (0.49) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL30988817 0.81 GSK3B (0.53) GSK3BPTPN1FOLH1
SCHEMBL4054915 0.81 SLC7A5 (0.49) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL4344951 0.81 GSK3B (0.53) GSK3BPTPN1FOLH1
SCHEMBL765921 0.81 FOLH1 (0.61) FOLH1ANPEPENPEP
SCHEMBL11338354 0.80 FOLH1 (0.41) GSK3BFOLH1SLC7A5ANPEPENPEP
SCHEMBL6844044 0.79 FOLH1 (0.55) FOLH1SLC7A5ANPEPENPEP
SCHEMBL10019208 0.79 FOLH1 (0.46) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL8094952 0.79 FOLH1 (0.46) FOLH1SLC7A5ANPEPENPEPMAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016277-B1 2-CARBONYL-3-HYDROXY-ALKENONITRILES, THEIR USE AS ANTI-ARTHRITIC AGENTS AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1981-12-02 EP disclosed
EP-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed
WO-1980000964-A1 ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES AMERICAN CYANAMID CO (US) 1980-05-15 WO disclosed
US-4173650-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1979-11-06 US disclosed
US-4033978-A Thiacycl[2.2.2]azine carboxylic acids SYNTEX (U.S.A.) INC. (US) 1977-07-05 US disclosed