SCHEMBL30434546

SCHEMBL30434546

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.49
▸ IL17A Q16552 1/20 0.49
▸ PARP1 P09874 3/20 0.48
▸ HDAC1 Q13547 4/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ PARP3 Q9Y6F1 1/20 0.37
▸ BRD1 O95696 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL142985 1.00 BRD4 (0.49) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL147598 0.90 BRD4 (0.56) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL16625069 0.90 BRD4 (0.41) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL30434565 0.90 BRD4 (0.56) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL348781 0.87 BRD4 (0.48) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL30434678 0.85 BRD4 (0.46) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL145706 0.85 BRD4 (0.46) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL121603 0.85 BRD4 (0.47) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL348009 0.83 BRD4 (0.62) BRD4IL17APARP1HDAC1HDAC6
SCHEMBL10221431 0.83 BRD4 (0.70) BRD4IL17APARP1HDAC1HDAC6

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
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