SCHEMBL23355149

SCHEMBL23355149

CCCCCC(=O)NC(C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
FURIN P09958 2/20 0.42
SIRT2 Q8IXJ6 9/20 0.41
SIRT1 Q96EB6 6/20 0.41
SIRT3 Q9NTG7 3/20 0.41
GRIA1 P42261 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPY4R P50391 1/20 0.41
NPY5R Q15761 1/20 0.41
HTT P42858 1/20 0.40
TLR2 O60603 1/20 0.40
KISS1R Q969F8 1/20 0.40
SPHK1 Q9NYA1 2/20 0.39

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
SCHEMBL24270749 0.94 FURIN (0.43) FURINSIRT2SIRT1GRIA1HTT
SCHEMBL21569760 0.93 FURIN (0.47) CTSLFURINSIRT2SIRT1SIRT3
SCHEMBL24829476 0.93 FURIN (0.47) CTSLFURINSIRT2SIRT1SIRT3
SCHEMBL15692124 0.93 NMT2 (0.45) CTSLFURINNPY1RNPY2RNPY4R
SCHEMBL14978855 0.93 NMT2 (0.45) CTSLFURINNPY1RNPY2RNPY4R
SCHEMBL25830860 0.92 CTSL (0.43) CTSLSIRT2SIRT1SIRT3GRIA1
SCHEMBL20839656 0.92 NPY5R (0.42) CTSLFURINNPY1RNPY2RNPY4R
SCHEMBL22702533 0.91 NPY5R (0.47) CTSLSIRT2SIRT1SIRT3GRIA1
SCHEMBL23943639 0.91 FURIN (0.44) FURINSIRT2SIRT1SIRT3GRIA1
SCHEMBL17312902 0.90 FURIN (0.41) FURINSIRT1NPY1RNPY2RNPY4R

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
EP-3820533-A2 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS IL-2RX, Inc. (US) 2021-05-19 EP disclosed