SCHEMBL9033502

SCHEMBL9033502

COc1ccc(Cn2ccc3cc(C(C)=CC(=O)O)ccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.67
HDAC8 Q9BY41 9/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC1 Q13547 8/20 0.62
HDAC2 Q92769 8/20 0.62
HDAC3 O15379 7/20 0.62
HDAC10 Q969S8 5/20 0.62
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48

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
SCHEMBL9033481 1.00 HDAC6 (0.67) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL9034319 0.88 HDAC6 (0.60) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL9034330 0.88 HDAC6 (0.60) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL9032886 0.88 HDAC8 (0.52) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL9032866 0.88 HDAC8 (0.52) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL9033027 0.87 HDAC8 (0.59) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL9033003 0.87 HDAC8 (0.59) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL28573537 0.86 HDAC6 (0.76) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL9031396 0.85 EPHX2 (0.53) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL9031382 0.85 EPHX2 (0.53) HDAC6HDAC8HDAC11HDAC1HDAC2

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