SCHEMBL30185512

SCHEMBL30185512

Cc1cccc(Cn2ccc3cc(C(=O)O)ccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.56
PLG P00747 2/20 0.56
PPARG P37231 3/20 0.53
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC3 O15379 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC11 Q96DB2 2/20 0.48
EPHX2 P34913 1/20 0.48
HDAC10 Q969S8 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER2 P43116 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL28580033 1.00 PLAU (0.56) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL28580016 0.86 HDAC8 (0.54) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL30185495 0.86 HDAC8 (0.54) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL30185504 0.86 HDAC8 (0.54) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL15971036 0.86 PLAU (0.57) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL30888879 0.86 PLAU (0.57) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL9033656 0.86 PLAU (0.50) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL9033665 0.86 PLAU (0.50) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL28563193 0.85 HDAC6 (0.68) PLAUPLGPPARGHDAC8HDAC6
SCHEMBL13802415 0.85 PLAU (0.56) PLAUPLGPPARGHDAC8HDAC6

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed