SCHEMBL8231474

SCHEMBL8231474

C=C(/C=C/C(C)=C/[C@@H](C)C(=C)c1ccc(N(C)C)cc1)NO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.60
▸ HDAC6 Q9UBN7 10/20 0.60
▸ HDAC8 Q9BY41 8/20 0.60
▸ HDAC3 O15379 7/20 0.60
▸ HDAC4 P56524 7/20 0.60
▸ HDAC7 Q8WUI4 7/20 0.60
▸ HDAC2 Q92769 7/20 0.60
▸ HDAC10 Q969S8 7/20 0.60
▸ HDAC9 Q9UKV0 7/20 0.60
▸ HDAC5 Q9UQL6 7/20 0.60
▸ HDAC11 Q96DB2 6/20 0.60
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ APP P05067 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL14141462 1.00 HDAC1 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL17549781 0.88 HDAC1 (0.77) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL25561421 0.85 HDAC1 (0.51) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL14705471 0.84 HDAC1 (0.52) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL8089729 0.82 HDAC3 (0.40) HDAC1HDAC6HDAC8HDAC3HDAC4
Trichostatin SCHEMBL675951 0.75 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC4
Trichostatin SCHEMBL446806 0.75 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC4
Trichostatin SCHEMBL16380793 0.75 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC4
Trichostatin SCHEMBL446807 0.75 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC4
Trichostatin SCHEMBL19886 0.75 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056135-A1 METHOD OF TREATING CANCERS WITH SAHA AND PEMETREXED MERCK & CO., INC. (US) 2007-05-18 — — WO disclosed
WO-2007056162-A2 METHODS OF TREATING CANCERS WITH SAHA, CARBOPLATIN, AND PACLITAXEL AND OTHER COMBINATION THERAPIES MERCK & CO., INC. (US) 2007-05-18 — — WO disclosed
WO-2007056244-A2 METHODS OF USING SAHA AND ERLOTINIB FOR TREATING CANCER MERCK & CO., INC. (US) 2007-05-18 — — WO disclosed
WO-2005023179-A2 COMBINATION METHODS OF TREATING CANCER ATON PHARMA, INC. (US) 2005-03-17 — — WO disclosed
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 — — WO disclosed
WO-2003088954-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-10-30 — — WO disclosed
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