SCHEMBL28818337

SCHEMBL28818337

CC(=O)OC(=O)C(N)CCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ALOX15 P16050 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 2/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GSR P00390 1/20 0.34
GRIK1 P39086 1/20 0.34
GRM5 P41594 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34

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
SCHEMBL972770 1.00 KMT2A (0.52) KMT2AALOX15BLMPMP22DPP4
SCHEMBL711607 0.87 ALOX15 (0.60) KMT2AALOX15BLMPMP22DPP4
SCHEMBL28313344 0.87 ALOX15 (0.60) KMT2AALOX15BLMPMP22DPP4
SCHEMBL1237866 0.85 ALOX15 (0.48) KMT2AALOX15BLMPMP22DPP4
SCHEMBL23200441 0.84 CYP1A2 (0.54) KMT2AALOX15BLMPMP22DPP4
SCHEMBL1606668 0.84 SLC1A1 (0.36) KMT2AALOX15BLMPMP22ALDH1A1
SCHEMBL8838342 0.84 CYP1A2 (0.54) KMT2AALOX15BLMPMP22DPP4
SCHEMBL8128271 0.84 SLC1A1 (0.36) KMT2AALOX15BLMPMP22ALDH1A1
SCHEMBL8838340 0.84 SLC1A1 (0.36) KMT2AALOX15BLMPMP22ALDH1A1
SCHEMBL7176759 0.83 ALOX15 (0.56) KMT2AALOX15BLMPMP22DPP4

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-114945369-A Methods of treating HER2 positive breast cancer with a combination of Tucotinib and an anti-HER 2 antibody-drug conjugate 思进公司 2022-08-26 CN disclosed