SCHEMBL21040564

SCHEMBL21040564

CC(=O)N[C@@H](CCc1ccccc1)C(=O)NC(C)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.57
CPA2 P48052 5/20 0.57
CPA4 Q9UI42 5/20 0.57
ALDH1A1 P00352 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
MMP8 P22894 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
ANPEP P15144 1/20 0.48
TSHR P16473 1/20 0.48
CTSL P07711 1/20 0.47

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
SCHEMBL2632695 0.88 CPA1 (0.62) CPA1CPA2CPA4ALDH1A1MMP1
SCHEMBL26646315 0.85 MMP1 (0.55) ALDH1A1MMP1MMP2MMP12MMP13
SCHEMBL23616270 0.84 SMN1; SMN2 (0.50) ALDH1A1MMP1MMP2MMP12MMP13
SCHEMBL2632703 0.84 CPA1 (0.61) CPA1CPA2CPA4ALDH1A1MMP1
SCHEMBL17948648 0.84 CPA1 (0.63) CPA1CPA2CPA4ALDH1A1MMP2
SCHEMBL23616381 0.83 TSHR (0.65) ALDH1A1MMP1MMP2MMP12MMP13
SCHEMBL10078882 0.83 TSHR (0.65) ALDH1A1MMP1MMP2MMP12MMP13
SCHEMBL23616296 0.83 CTSS (0.67) CTSL
SCHEMBL23616295 0.83 CTSS (0.67) CTSL
SCHEMBL2633272 0.82 CPA1 (0.56) CPA1CPA2CPA4ALDH1A1MMP1

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-3227312-B1 A PROCESS FOR PURIFICATION OF CARFILZOMIB FRESENIUS KABI ONCOLOGY LTD (IN) 2019-05-29 EP disclosed