SCHEMBL10939773

SCHEMBL10939773

CC(CCC#N)(NC(=O)c1ccc(I)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
POLB P06746 1/20 0.36
CTSL P07711 3/20 0.35
TPMT P51580 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
GUSB P08236 1/20 0.33
EPHX2 P34913 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
DHFR P00374 1/20 0.32

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
SCHEMBL10939776 1.00 FOLH1 (0.37) FOLH1POLBCTSLTPMTTRPV1
SCHEMBL10938164 0.87 TRPV1 (0.33) FOLH1POLBTRPV1GUSBEPHX2
SCHEMBL10938163 0.87 TRPV1 (0.33) FOLH1POLBTRPV1GUSBEPHX2
SCHEMBL10936654 0.86 OGG1 (0.41) POLBCTSL
SCHEMBL10936639 0.86 CTSL (0.48) CTSLEPHX2
SCHEMBL10936635 0.86 CTSL (0.48) CTSLEPHX2
SCHEMBL10936648 0.86 OGG1 (0.41) POLBCTSL
SCHEMBL10940243 0.86 ALDH1A1 (0.43) POLB
SCHEMBL10940237 0.86 ALDH1A1 (0.43) POLB
SCHEMBL10935401 0.77 CTSV (0.47) CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4545942-A IMMUNOREGULATORS; ANTITUMOR AGENTS SANKYO COMPANY, LIMITED (JP) 1985-10-08 US claimed