SCHEMBL10936639

SCHEMBL10936639

C[C@](CCC#N)(NC(=O)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.48
EPHX2 P34913 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSB P07858 1/20 0.38
SSTR3 P32745 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL10936635 1.00 CTSL (0.48) CTSLEPHX2CTSSCTSKCTSB
SCHEMBL10937584 0.87 CTSL (0.44) CTSLCTSSCTSKSSTR3NPC1
SCHEMBL10937589 0.87 CTSL (0.44) CTSLCTSSCTSKSSTR3NPC1
SCHEMBL10940237 0.86 ALDH1A1 (0.43) CTSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL10936648 0.86 OGG1 (0.41) CTSLCTSSCTSKCTSBNPC1
SCHEMBL10936654 0.86 OGG1 (0.41) CTSLCTSSCTSKCTSBNPC1
SCHEMBL10939773 0.86 FOLH1 (0.37) CTSLEPHX2
SCHEMBL10940243 0.86 ALDH1A1 (0.43) CTSBNPC1RAB9AALDH1A1KDM4E
SCHEMBL10939776 0.86 FOLH1 (0.37) CTSLEPHX2
SCHEMBL10935401 0.77 CTSV (0.47) CTSLCTSSCTSKCTSBALDH1A1

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