SCHEMBL30902877

SCHEMBL30902877

CN[C@@H](C)C(=O)OC(C)(C)C.[O-][Cl+2]([O-])O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 7/20 0.33
RECQL P46063 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
XBP1 P17861 2/20 0.33
NPSR1 Q6W5P4 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
DGAT1 O75907 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3725616 0.90 CA12 (0.42) CA12CA14MAPTRECQLTDP1
SCHEMBL3725618 0.90 CA12 (0.42) CA12CA14MAPTRECQLTDP1
SCHEMBL3728417 0.90 CA12 (0.42) CA12CA14MAPTRECQLTDP1
Hydrochloric Acid SCHEMBL5753572 0.88 CA12 (0.41) CA12CA14MAPTRECQLTDP1
Hydrochloric Acid SCHEMBL18342541 0.88 CA12 (0.41) CA12CA14MAPTRECQLTDP1
Hydrochloric Acid SCHEMBL31645354 0.88 CA12 (0.41) CA12CA14MAPTRECQLTDP1
SCHEMBL5801336 0.79 CA14 (0.46) CA12CA14MAPTRECQLTDP1
SCHEMBL13223287 0.77 CA12 (0.37) CA12CA14CA1CA2CA7
SCHEMBL24796325 0.74 CA12 (0.40) CA12CA14MAPTRECQLTDP1
SCHEMBL23849248 0.74 CA1 (0.52) CA12CA14MAPTNPSR1KMT2A

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
WO-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed