SCHEMBL5860684

SCHEMBL5860684

C=CCCCCCCCCC(=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.44
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
KAT6A Q92794 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 5/20 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
SCHEMBL6421401 0.82 LMNA (0.47) DAGLALMNAFAAHCES1
SCHEMBL9983120 0.72 DAGLA (0.46) DAGLAHDAC1HDAC6ABCC4MAPT
SCHEMBL29742236 0.71 SMN1; SMN2 (0.54) DAGLAHDAC1HDAC6ABCC4MAPT
SCHEMBL18797621 0.69 PKM (0.47) MAPTKAT6AALDH1A1LMNAPKM
SCHEMBL10416944 0.66 KDM4E (0.51) MAPTKAT6AALDH1A1LMNAPKM
SCHEMBL9983121 0.66 DAGLA (0.40) DAGLAHDAC1HDAC6ABCC4MAPT
SCHEMBL6419576 0.66 ALDH1A1 (0.48) MAPTKAT6AALDH1A1LMNAPKM
SCHEMBL21052634 0.65 HRH1 (0.61) HDAC1ALDH1A1LMNAHDAC4
SCHEMBL29217264 0.65 MAPT (0.71) DAGLAHDAC1HDAC6ABCC4MAPT
SCHEMBL457030 0.65 HRH1 (0.61) HDAC1ALDH1A1LMNAHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7083987-B2 Activity based probe analysis ACTIVX BIOSCIENCES, INC. (US) 2006-08-01 US disclosed
US-20050287594-A1 Activity-based probes having specificity to the active form of enzymes and receptors; screening for desired biological activities or target proteins SCRIPPS RESEARCH INSTITUTE, THE 2005-12-29 US disclosed
US-6872574-B2 Generating and screening compound libraries that are used for the identification of lead molecules, and for the parallel identification of their biological targets THE SCRIPPS RESEARCH INSTITUTE (US) 2005-03-29 US disclosed
EP-1364209-A4 ACTIVITY BASED PROBE ANALYSIS ACTIVX BIOSCIENCES INC (US) 2004-04-14 EP disclosed
EP-1364209-A2 ACTIVITY BASED PROBE ANALYSIS Activx Biosciences, Inc. (US) 2003-11-26 EP disclosed
US-20030175986-A1 Activity based probe analysis ACTIVX BIOSCIENCES, INC. 2003-09-18 US disclosed
EP-1275006-A2 PROTEOMIC ANALYSIS USING ACTIVITY-BASED PROBE LIBRARIES The Scripps Research Institute (US) 2003-01-15 EP disclosed
US-20020182652-A1 Proteomic analysis NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-12-05 US disclosed
WO-2002063271-A2 ACTIVITY BASED PROBE ANALYSIS ACTIVX BIOSCIENCES, INC. (US) 2002-08-15 WO disclosed
US-20020064799-A1 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE OF AN ASSIGNMENT 2002-05-30 US disclosed
US-20020045194-A1 Proteomic analysis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-04-18 US disclosed
US-20020040275-A1 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE 2002-04-04 US disclosed
WO-2001077668-A2 PROTEOMIC ANALYSIS USING ACTIVE-SITE DIRECTED PROBES THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-18 WO disclosed
WO-2001077684-A2 PROTEOMIC ANALYSIS USING ACTIVITY-BASED PROBE LIBRARIES THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-18 WO disclosed