SCHEMBL20158413

SCHEMBL20158413

CC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CNR2 P34972 7/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CNR1 P21554 1/20 0.47
PTPN1 P18031 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
PSMB8 P28062 1/20 0.45
PSMB5 P28074 1/20 0.45

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
SCHEMBL26109837 0.91 CNR2 (0.53) POLBCNR2CTSLCTSBCTSS
SCHEMBL26109839 0.91 CNR2 (0.53) POLBCNR2CTSLCTSBCTSS
SCHEMBL6249941 0.88 KMT2A (0.58) POLBCNR2CTSLCTSBCTSS
SCHEMBL236526 0.88 KMT2A (0.58) POLBCNR2CTSLCTSBCTSS
SCHEMBL6249937 0.88 KMT2A (0.58) POLBCNR2CTSLCTSBCTSS
SCHEMBL236527 0.88 KMT2A (0.58) POLBCNR2CTSLCTSBCTSS
SCHEMBL3340721 0.87 KMT2A (0.57) POLBCNR2CTSLCTSBCTSS
SCHEMBL935547 0.87 KMT2A (0.57) POLBCNR2CTSLCTSBCTSS
SCHEMBL3340707 0.87 KMT2A (0.57) POLBCNR2CTSLCTSBCTSS
SCHEMBL22109285 0.86 POLB (0.52) POLBCNR2CTSLCTSBCTSS

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
WO-2018087605-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS CELLIX BIO PRIVATE LIMITED (IN) 2018-05-17 WO disclosed