SCHEMBL28455342

SCHEMBL28455342

CC(C)(C)OC(=O)Cn1ccnc1COC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.41
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
ALPG P10696 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PLAA Q9Y263 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL13263679 0.81 ALPG (0.49) FPR2KDM4EALDH1A1HDAC6ALPG
SCHEMBL16607258 0.77 FPR2 (0.43) FPR2ALPGPLAAALPL
SCHEMBL11930749 0.76 FPR2 (0.42) FPR2KDM4EALDH1A1HDAC6ALPG
SCHEMBL23975326 0.75 FPR2 (0.41) FPR2KDM4EALDH1A1HDAC6ALPG
SCHEMBL21539580 0.75 FPR2 (0.41) FPR2KDM4EALDH1A1HDAC6ALPG
SCHEMBL15335292 0.75 ALPL (0.47) FPR2KDM4EALDH1A1HDAC6ALPG
SCHEMBL18079522 0.74 FPR2 (0.37) FPR2KDM4EALDH1A1HDAC6ALPG
SCHEMBL10553435 0.74 FPR2 (0.51) FPR2KDM4EALDH1A1HDAC6CA12
SCHEMBL10916148 0.74 FPR2 (0.46) FPR2KDM4EALDH1A1HDAC6OPRD1
SCHEMBL13233404 0.74 FPR2 (0.46) FPR2KDM4EALDH1A1HDAC6OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146196-A FAP inhibitors 海德堡大学 2024-06-07 CN disclosed
CN-111699181-A FAP inhibitors 海德堡大学 2020-09-22 CN disclosed