SCHEMBL30434909

SCHEMBL30434909

COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
XDH P47989 1/20 0.45
BRD4 O60885 9/20 0.43
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
IL17A Q16552 1/20 0.39
GSK3B P49841 1/20 0.38
PARP1 P09874 1/20 0.38
NQO2 P16083 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL146822 1.00 PDE3B (0.50) PDE3BPDE3AXDHBRD4HDAC1
SCHEMBL14100607 0.85 PDE3B (0.48) PDE3BPDE3AXDHBRD4HDAC1
SCHEMBL147598 0.83 BRD4 (0.56) PDE3BPDE3ABRD4HDAC1HDAC3
SCHEMBL30434565 0.83 BRD4 (0.56) PDE3BPDE3ABRD4HDAC1HDAC3
SCHEMBL311502 0.83 PDE3B (0.48) PDE3BPDE3AXDHBRD4HDAC1
SCHEMBL30434678 0.81 BRD4 (0.46) PDE3BPDE3ABRD4HDAC1HDAC3
SCHEMBL145706 0.81 BRD4 (0.46) PDE3BPDE3ABRD4HDAC1HDAC3
SCHEMBL30434546 0.80 BRD4 (0.49) PDE3BPDE3ABRD4HDAC1HDAC3
SCHEMBL142985 0.80 BRD4 (0.49) PDE3BPDE3ABRD4HDAC1HDAC3
SCHEMBL348781 0.79 BRD4 (0.48) PDE3BPDE3ABRD4HDAC1HDAC3

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-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 CN disclosed