SCHEMBL28999982

SCHEMBL28999982

CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CCl)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.53
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MMP1 P03956 2/20 0.48
MMP2 P08253 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP3A7 P24462 1/20 0.46
CYP3A43 Q9HB55 1/20 0.46

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
SCHEMBL28999980 0.94 REN (0.55) RENCTSSCTSKMMP1POLB
SCHEMBL28599750 0.88 CTSK (0.53) RENCTSSCTSKMMP1POLB
SCHEMBL23584074 0.84 REN (0.54) RENCTSSCTSKMMP1MMP2
SCHEMBL25533404 0.84 REN (0.54) RENCTSSCTSKMMP1MMP2
SCHEMBL84540 0.83 BIRC2 (0.54) RENCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL13893311 0.83 BIRC2 (0.54) RENCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL19474595 0.83 BIRC2 (0.54) RENCYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL17452195 0.83 CTSS (0.63) RENCTSSCTSKCTSLCTSB
SCHEMBL29196408 0.83 CAPN1 (0.46) RENCTSSCTSKMMP1POLB
SCHEMBL29196412 0.83 CAPN1 (0.46) RENCTSSCTSKMMP1POLB

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
CN-113024637-B Method for preparing carfilzomib by taking water-soluble alkynylamide as condensing agent 江西师范大学 2023-05-16 CN disclosed