SCHEMBL3813428

SCHEMBL3813428

CCCCOC(=O)C(CCCCCC(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PAM P19021 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL547873 0.90 CYP1A2 (0.44) DGKAMAPTLMNAALDH1A1CYP3A4
SCHEMBL11512164 0.90 CYP1A2 (0.44) DGKAMAPTLMNAALDH1A1CYP3A4
SCHEMBL3828967 0.83 KMT2A (0.41) DGKAMAPTLMNAALDH1A1CYP3A4
SCHEMBL5094619 0.83 KMT2A (0.41) DGKAMAPTLMNAALDH1A1CYP3A4
SCHEMBL11614930 0.83 KMT2A (0.41) DGKAMAPTLMNAALDH1A1CYP3A4
SCHEMBL9659247 0.83 TDP1 (0.42) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL3822316 0.82 CYP1A2 (0.42) DGKAMAPTALDH1A1CYP3A4TSHR
SCHEMBL28429138 0.82 DGKA (0.51) DGKAMAPTLMNADNM1ALDH1A1
SCHEMBL28429069 0.82 DGKA (0.51) DGKAMAPTLMNADNM1ALDH1A1
SCHEMBL8490442 0.80 ZDHHC7 (0.46) MAPTPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086950-A2 HISTONE DEACETYLASE INHIBITORS Queen Mary and Westfield College (GB) 2009-08-12 EP disclosed
WO-2008047138-A2 HISTONE DEACETYLASE INHIBITORS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-04-24 WO disclosed
EP-1231919-A4 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF SLOAN KETTERING INSTITUTEFOR C (US) 2005-02-23 EP disclosed
EP-1231919-A2 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 2002-08-21 EP disclosed
WO-2001018171-A2 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2001-03-15 WO disclosed