SCHEMBL9142173

SCHEMBL9142173

CC(C)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)[C@H](C)NC(=O)[C@H](C)N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
PPIA P62937 2/20 0.42
CTSL P07711 8/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SSTR3 P32745 1/20 0.39
CTSB P07858 5/20 0.39
PPIF P30405 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
SCHEMBL8151760 0.81 SSTR3 (0.46) LTA4HCTSLSSTR3CTSB
SCHEMBL8059135 0.81 MEN1 (0.42) SMN1; SMN2
Hydrochloric Acid SCHEMBL10946501 0.78 ALDH1A1 (0.41) LTA4HPPIANPC1RAB9ASMN1; SMN2
SCHEMBL14698237 0.75 CTSK (0.58) CTSLCTSB
SCHEMBL5052608 0.74 KMT2A (0.41) LTA4HPPIANPC1RAB9ASMN1; SMN2
SCHEMBL2007479 0.72 PPIA (0.43) PPIANPC1RAB9ASMN1; SMN2SSTR3
SCHEMBL10948731 0.72 CTSL (0.42) LTA4HCTSLCTSB
SCHEMBL6243605 0.72 SSTR3 (0.56) LTA4HNPC1RAB9ASMN1; SMN2SSTR3
SCHEMBL7363525 0.71 MEN1 (0.44) LTA4HCTSLNPC1RAB9ASMN1; SMN2
SCHEMBL29740041 0.71 SSTR3 (0.59) LTA4HNPC1RAB9ASMN1; SMN2SSTR3

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
JP-7067638-A None JP disclosed
JP-H0767638-A NEW PROLYL ENDOPEPTIDASE AND ITS PRODUCTION MURAO SAWAO 1995-03-14 JP disclosed
JP-H00767638-A 0001-01-01 JP disclosed