SCHEMBL28906339

SCHEMBL28906339

COc1ccc(C(=O)C=Cc2ccc(C(=O)O)cc2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.71
ABCG2 Q9UNQ0 5/20 0.69
PDE4A P27815 1/20 0.67
PDE4B Q07343 1/20 0.67
PDE4C Q08493 1/20 0.67
PDE4D Q08499 1/20 0.67
MKNK2 Q9HBH9 1/20 0.65
TNFRSF1A P19438 2/20 0.64
P4HB P07237 2/20 0.64
TUBB4A P04350 1/20 0.64
TUBB P07437 1/20 0.64
TUBA3C P0DPH7 1/20 0.64
TUBA1B P68363 1/20 0.64
TUBA4A P68366 1/20 0.64
TUBB4B P68371 1/20 0.64
TUBB3 Q13509 1/20 0.64
TUBB2A Q13885 1/20 0.64
TUBB8 Q3ZCM7 1/20 0.64
TUBA3E Q6PEY2 1/20 0.64
TUBA1A Q71U36 1/20 0.64

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
SCHEMBL28906331 0.89 CXCL12 (0.85) CXCL12ABCG2MKNK2TNFRSF1ATUBB4A
SCHEMBL8461357 0.89 ABCG2 (0.88) CXCL12ABCG2PDE4APDE4BPDE4C
SCHEMBL8461354 0.89 ABCG2 (0.88) CXCL12ABCG2PDE4APDE4BPDE4C
SCHEMBL25196076 0.85 TUBB1 (0.79) CXCL12ABCG2PDE4APDE4BPDE4C
SCHEMBL30384079 0.85 TUBB1 (0.79) CXCL12ABCG2PDE4APDE4BPDE4C
SCHEMBL30383389 0.83 CTSL (0.74) CXCL12ABCG2P4HBTUBB4ATUBB
SCHEMBL6009747 0.83 ABCG2 (0.80) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL29960098 0.83 ABCG2 (0.80) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL25210464 0.83 CTSL (0.74) CXCL12ABCG2P4HBTUBB4ATUBB
SCHEMBL25184983 0.82 CTSL (0.76) CXCL12ABCG2PDE4APDE4BPDE4C

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-115304513-A Chalcone derivative with anti-inflammatory activity and synthesis method and application thereof 湖北科技学院 2022-11-08 CN disclosed