SCHEMBL30434565

SCHEMBL30434565

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.56
HDAC1 Q13547 5/20 0.51
HDAC6 Q9UBN7 7/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
IL17A Q16552 1/20 0.50
PARP1 P09874 1/20 0.49
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44

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
SCHEMBL147598 1.00 BRD4 (0.56) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL142985 0.90 BRD4 (0.49) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL30434546 0.90 BRD4 (0.49) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL348781 0.88 BRD4 (0.48) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL17284266 0.87 BRD4 (0.52) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL15435693 0.87 BRD4 (0.44) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL145706 0.86 BRD4 (0.46) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL30434678 0.86 BRD4 (0.46) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL121603 0.86 BRD4 (0.47) BRD4HDAC1HDAC6HDAC3HDAC4
SCHEMBL348009 0.84 BRD4 (0.62) BRD4HDAC1HDAC6HDAC3HDAC4

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