SCHEMBL10940243

SCHEMBL10940243

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
PPARA Q07869 2/20 0.39
FABP2 P12104 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
HTT P42858 1/20 0.39
CTSB P07858 1/20 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
SCHEMBL10940237 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL1NPC1MAPK1POLB
SCHEMBL10934472 0.87 MAPK1 (0.42) ALDH1A1L3MBTL1NPC1MAPK1POLB
SCHEMBL10934466 0.87 MAPK1 (0.42) ALDH1A1L3MBTL1NPC1MAPK1POLB
SCHEMBL10936654 0.86 OGG1 (0.41) ALDH1A1NPC1POLBKDM4ELMNA
SCHEMBL10936639 0.86 CTSL (0.48) ALDH1A1NPC1KDM4EMAPTRAB9A
SCHEMBL10939776 0.86 FOLH1 (0.37) POLB
SCHEMBL10936648 0.86 OGG1 (0.41) ALDH1A1NPC1POLBKDM4ELMNA
SCHEMBL10939773 0.86 FOLH1 (0.37) POLB
SCHEMBL10936635 0.86 CTSL (0.48) ALDH1A1NPC1KDM4EMAPTRAB9A
SCHEMBL10935401 0.85 CTSV (0.47) ALDH1A1LMNAMAPTMEN1KMT2A

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
US-4545942-A IMMUNOREGULATORS; ANTITUMOR AGENTS SANKYO COMPANY, LIMITED (JP) 1985-10-08 US claimed
JP-56147753-A None JP disclosed
US-4545942-A IMMUNOREGULATORS; ANTITUMOR AGENTS SANKYO COMPANY, LIMITED (JP) 1985-10-08 US disclosed
JP-S56147753-A AMINO ACID DERIVATIVE SANKYO CO LTD 1981-11-16 JP disclosed