SCHEMBL17099347

SCHEMBL17099347

CC(=O)F.CCCCOC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38

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
SCHEMBL7404539 0.94 ACHE (0.46) ACHEALDH1A1EPHX1
SCHEMBL7208796 0.84 GRN (0.43) ACHEALDH1A1EPHX1ITGB3ITGA2B
SCHEMBL8591688 0.82 ECE1 (0.43) ACHEEPHX1ITGB3ITGA2B
SCHEMBL9565515 0.82 ECE1 (0.43) ACHEEPHX1ITGB3ITGA2B
SCHEMBL9103059 0.82 EPHX1 (0.41) ACHEALDH1A1EPHX1ITGB3ITGA2B
SCHEMBL8872226 0.82 ECE1 (0.43) ACHEEPHX1ITGB3ITGA2B
SCHEMBL9565518 0.82 ACHE (0.44) ACHEEPHX1
SCHEMBL480292 0.81 EPHX1 (0.46) ACHEALDH1A1EPHX1ITGB3ITGA2B
SCHEMBL284168 0.81 EPHX1 (0.46) ACHEALDH1A1EPHX1ITGB3ITGA2B
SCHEMBL9709088 0.80 ITGB3 (0.46) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932382-B2 Kv2.1 channel-derived peptides and methods of use University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-04-03 US disclosed
US-20170174740-A1 KV2.1 CHANNEL-DERIVED PEPTIDES AND METHODS OF USE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-06-22 US disclosed
WO-2015142826-A1 KV2.1 CHANNEL-DERIVED PEPTIDES AND METHODS OF USE UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-09-24 WO disclosed