SCHEMBL29214293

SCHEMBL29214293

NC(=O)OC(CC1CC1)C(O)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.46
METAP1 P53582 2/20 0.46
KLK7 P49862 1/20 0.45
KLKB1 P03952 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PSMB1 P20618 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP1 P03956 2/20 0.41
FCER2 P06734 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADAM17 P78536 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL29214291 1.00 METAP2 (0.46) METAP2METAP1KLK7KLKB1MEN1
SCHEMBL27076683 0.81 METAP2 (0.65) METAP2METAP1KLK7MEN1KMT2A
SCHEMBL27076680 0.81 METAP2 (0.65) METAP2METAP1KLK7MEN1KMT2A
SCHEMBL27076755 0.80 MMP1 (0.47) METAP2METAP1KLK7KLKB1MEN1
SCHEMBL27076750 0.80 MMP1 (0.47) METAP2METAP1KLK7KLKB1MEN1
SCHEMBL28349261 0.79 KLK7 (0.54) METAP2METAP1KLK7KLKB1MEN1
SCHEMBL29068018 0.77 KMT2A (0.50) METAP2METAP1KLK7MEN1KMT2A
SCHEMBL29068015 0.77 KMT2A (0.50) METAP2METAP1KLK7MEN1KMT2A
SCHEMBL22987023 0.77 KMT2A (0.51) MEN1KMT2APSMB1CYP2D6ALDH1A1
SCHEMBL3511151 0.76 HPGD (0.45) METAP2METAP1KLK7KLKB1KMT2A

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-117858867-A SARS-COV-2 MPRO inhibitor compounds 赫普泰雅治疗有限公司 2024-04-09 CN disclosed