SCHEMBL30434612

SCHEMBL30434612

COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCN4C(=O)c5ccccc5C4=O)c(C)c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.49
IL17A Q16552 1/20 0.49
PARP1 P09874 1/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 4/20 0.43
TSHR P16473 3/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL143275 1.00 BRD4 (0.49) BRD4IL17APARP1RAB9AHPGD
SCHEMBL378036 0.84 BRD4 (0.71) BRD4IL17APARP1HDAC1HDAC3
SCHEMBL147598 0.82 BRD4 (0.56) BRD4IL17APARP1HDAC1HDAC3
SCHEMBL30434565 0.82 BRD4 (0.56) BRD4IL17APARP1HDAC1HDAC3
SCHEMBL30434546 0.81 BRD4 (0.49) BRD4IL17APARP1HDAC1HDAC3
SCHEMBL142985 0.81 BRD4 (0.49) BRD4IL17APARP1HDAC1HDAC3
SCHEMBL348009 0.81 BRD4 (0.62) BRD4IL17APARP1HDAC1HDAC3
SCHEMBL10221431 0.81 BRD4 (0.70) BRD4IL17APARP1HDAC1HDAC3
SCHEMBL348177 0.80 BRD4 (0.60) BRD4IL17APARP1HDAC1HDAC3
SCHEMBL348781 0.80 BRD4 (0.48) BRD4IL17APARP1HDAC1HDAC3

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