SCHEMBL12384232

SCHEMBL12384232

CCCC(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.73
KDM4E B2RXH2 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HCRTR1 O43613 1/20 0.54
ALOX15 P16050 1/20 0.53
MAPT P10636 3/20 0.52
APAF1 O14727 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
MTNR1A P48039 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ACE P12821 1/20 0.49
LMNA P02545 1/20 0.49
MPO P05164 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL10890916 0.93 CTSL (0.68) CTSLKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL10893970 0.92 CTSL (0.67) CTSLKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL10063754 0.91 CTSL (0.71) CTSLKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL20204704 0.91 CTSL (0.72) CTSLKDM4EMEN1KMT2AHCRTR1
SCHEMBL20204701 0.91 CTSL (0.72) CTSLKDM4EMEN1KMT2AHCRTR1
SCHEMBL18232014 0.87 CTSL (0.65) CTSLKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL26334901 0.87 CTSL (0.65) CTSLKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL10077743 0.86 CTSL (0.62) CTSLKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL13254023 0.86 CTSL (0.71) CTSLKDM4EL3MBTL1MEN1KMT2A
SCHEMBL7123258 0.86 CTSL (0.71) CTSLKDM4EL3MBTL1MEN1KMT2A

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-7994119-B2 Neuropeptide Y receptor antagonists and agonists including O-glycosylated tripeptides, O-glycopeptides, and extended tripeptides; cardiovascular disorders UNIVERSITY OF CINCINNATI (US) 2011-08-09 US disclosed