SCHEMBL25400433

SCHEMBL25400433

CCOC(=O)C1CC([C@@H](N)CC(C)C)=NO1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAPN9 O14815 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CAPN1 P07384 2/20 0.31
▸ CTSL P07711 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSG P08311 1/20 0.31
▸ MIF P14174 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL25400440 1.00 CAPN9 (0.32) CAPN9ALDH1A1CAPN1CTSLHSD17B10
Hydrochloric Acid SCHEMBL25398149 0.99 CAPN9 (0.31) CAPN9ALDH1A1CAPN1CTSLHSD17B10
Hydrochloric Acid SCHEMBL25398147 0.99 CAPN9 (0.31) CAPN9ALDH1A1CAPN1CTSLHSD17B10
SCHEMBL25061570 0.83 ALDH1A1 (0.35) ALDH1A1HSD17B10MIFGAAMAPT
SCHEMBL25400468 0.77 TP53 (0.51) ALDH1A1CTSLHSD17B10LMNAGAA
SCHEMBL25400462 0.77 TP53 (0.51) ALDH1A1CTSLHSD17B10LMNAGAA
SCHEMBL20640508 0.74 MLYCD (0.32) MAPT
SCHEMBL4764842 0.74 ALDH1A1 (0.38) ALDH1A1HSD17B10MIFGAAMAPT
SCHEMBL25061704 0.72 MIF (0.36) MIFHPGDKDM4ENPC1RAB9A
SCHEMBL473028 0.72 CA1 (0.38) ALDH1A1HSD17B10MIFGAAMAPT

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-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 — — EP disclosed
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