SCHEMBL9033706

SCHEMBL9033706

CC(C(=O)O)=C(C)c1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.52
HDAC6 Q9UBN7 8/20 0.52
HDAC11 Q96DB2 2/20 0.52
PLAU P00749 3/20 0.51
PLG P00747 2/20 0.51
HDAC1 Q13547 7/20 0.51
HDAC2 Q92769 7/20 0.51
HDAC3 O15379 6/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
ACHE P22303 1/20 0.48
APP P05067 1/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PPARG P37231 3/20 0.47

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
SCHEMBL9033696 1.00 HDAC8 (0.52) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL15971036 0.85 PLAU (0.57) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL30888879 0.85 PLAU (0.57) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL27945353 0.83 ACHE (0.54) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL28247458 0.82 PLAU (0.62) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL9032866 0.82 HDAC8 (0.52) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL9032886 0.82 HDAC8 (0.52) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL3109875 0.82 HDAC6 (0.61) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL3858561 0.81 PPARG (0.53) HDAC8HDAC6HDAC11PLAUPLG
SCHEMBL2510388 0.80 HDAC6 (0.73) HDAC8HDAC6HDAC11PLAUPLG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511477-B1 Indole derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-10 EP disclosed
US-5239083-A Anticarcinogenic agents, prostate cancer treatment KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-24 US disclosed
EP-0511477-A1 Indole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-11-04 EP disclosed