SCHEMBL7698946

SCHEMBL7698946

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.53
PSMB1 P20618 1/20 0.48
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
CTSK P43235 6/20 0.47
CTSS P25774 2/20 0.47
SIRT5 Q9NXA8 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
NPY4R P50391 3/20 0.46
NPY1R P25929 2/20 0.46
NPY2R P49146 1/20 0.45
NPY5R Q15761 1/20 0.45
CA1 P00915 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
SCHEMBL4413420 0.95 PTGER4 (0.58) PTGER4CTSSSIRT5CTSL
SCHEMBL7358758 0.95 PTGER4 (0.58) PTGER4CTSSSIRT5CTSL
SCHEMBL5419016 0.92 PTGER4 (0.55) PTGER4CTSKCTSSCTSLCTSB
SCHEMBL8495773 0.92 PTGER4 (0.55) PTGER4CTSKCTSSCTSLCTSB
SCHEMBL7355085 0.92 PTGER4 (0.55) PTGER4CTSKCTSSCTSLCTSB
SCHEMBL14968961 0.88 PTGER4 (0.51) PTGER4PSMB1CAPN1CAPN2CTSK
SCHEMBL537968 0.86 PTGER4 (0.55) PTGER4
SCHEMBL3734177 0.83 MAP1LC3B (0.42) PTGER4CAPN1NPY4RNPY1RNPY2R
SCHEMBL335479 0.83 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9022219 0.82 PTGER4 (0.46) PTGER4NPY4RNPY1RNPY2RNPY5R

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-6346373-B1 INCUBATING TRANSFORMED CELL WITH SUBSTRATE IN PRESENCE OF PROTEASE INHIBITOR; OSTEOPOROSIS, BONE DISORDERS MERCK FROSST CANADA & CO., (CA) 2002-02-12 US claimed