SCHEMBL9033003

SCHEMBL9033003

C/C(=C\C(=O)O)c1ccc2c(ccn2Cc2ccc(F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.59
HDAC6 Q9UBN7 5/20 0.59
HDAC3 O15379 4/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC2 Q92769 4/20 0.59
HDAC11 Q96DB2 1/20 0.50
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
HDAC10 Q969S8 1/20 0.47
PPARG P37231 2/20 0.46
MAOB P27338 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL9033027 1.00 HDAC8 (0.59) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9034330 0.89 HDAC6 (0.60) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9034319 0.89 HDAC6 (0.60) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9032886 0.89 HDAC8 (0.52) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9032866 0.89 HDAC8 (0.52) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9034387 0.88 NR4A1 (0.55) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9034378 0.88 NR4A1 (0.55) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9033502 0.87 HDAC6 (0.67) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9033481 0.87 HDAC6 (0.67) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9031382 0.86 EPHX2 (0.53) HDAC8HDAC6HDAC3HDAC1HDAC2

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