SCHEMBL29697301

SCHEMBL29697301

C=CCOC(=O)NC1CC(C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD11B1 P28845 1/20 0.32
AGTR2 P50052 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 2/20 0.32
NR1H2 P55055 1/20 0.32
KCNA3 P22001 1/20 0.32
TGM2 P21980 2/20 0.32
F13A1 P00488 1/20 0.32
TGM1 P22735 1/20 0.32

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
SCHEMBL3898037 1.00 BTK (0.39) BTKSMN1; SMN2MMP2ANPEPHSD17B10
SCHEMBL3894190 0.90 MMP2 (0.38) BTKMMP2ANPEPCYP1A2POLB
SCHEMBL14090197 0.90 MMP2 (0.38) BTKMMP2ANPEPCYP1A2POLB
SCHEMBL29697307 0.84 AGTR2 (0.36) MMP2ANPEPAGTR2KCNA3CHRM1
SCHEMBL22980663 0.84 AGTR2 (0.36) MMP2ANPEPAGTR2KCNA3CHRM1
SCHEMBL25235410 0.84 BTK (0.54) BTKSMN1; SMN2MMP2ANPEPHSD17B10
SCHEMBL7736016 0.84 BTK (0.54) BTKSMN1; SMN2MMP2ANPEPHSD17B10
SCHEMBL7729066 0.84 BTK (0.54) BTKSMN1; SMN2MMP2ANPEPHSD17B10
SCHEMBL7722234 0.84 BTK (0.54) BTKSMN1; SMN2MMP2ANPEPHSD17B10
SCHEMBL15297652 0.84 BTK (0.54) BTKSMN1; SMN2MMP2ANPEPHSD17B10

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-4010080-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2022-06-15 EP disclosed