SCHEMBL30358376

SCHEMBL30358376

COc1ccc(C(=O)/C=C/C2C(O)=CC=CC2O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
P4HB P07237 2/20 0.45
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
SNCA P37840 1/20 0.43
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41

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
SCHEMBL17784927 1.00 DPP4 (0.46) DPP4P4HBPDE4APDE4BPDE4C
SCHEMBL30291879 0.83 F3 (0.47) P4HBABCG2LMNAALDH1A1HPGD
SCHEMBL19304785 0.83 F3 (0.47) P4HBABCG2LMNAALDH1A1HPGD
SCHEMBL6253962 0.81 DPP4 (0.46) DPP4P4HBPDE4APDE4BPDE4C
SCHEMBL11871724 0.75 DPP4 (0.41) DPP4P4HBPDE4APDE4BPDE4C
SCHEMBL11402658 0.74 DPP4 (0.40) DPP4P4HBPDE4APDE4BPDE4C
SCHEMBL11850676 0.74 DPP4 (0.40) DPP4P4HBPDE4APDE4BPDE4C
SCHEMBL11251503 0.72 DPP4 (0.38) DPP4P4HBPDE4APDE4BPDE4C
SCHEMBL11251754 0.72 DPP4 (0.38) DPP4P4HBPDE4APDE4BPDE4C
SCHEMBL11251748 0.72 P4HB (0.39) DPP4P4HBPDE4APDE4BPDE4C

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-109890221-B Diterpene glycosides containing an ent-acteosene core, compositions, and methods 可口可乐公司 2023-04-14 CN disclosed