SCHEMBL4924469

SCHEMBL4924469

O=C(CCCCCCCCCCBr)OO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.38
TSHR P16473 3/20 0.36
LMNA P02545 4/20 0.35
NAAA Q02083 2/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
PAM P19021 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGS2 P35354 1/20 0.32

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
SCHEMBL5003265 0.91 TSHR (0.52) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4141159 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1
SCHEMBL38542 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1
SCHEMBL27179 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1
SCHEMBL20542 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1
SCHEMBL4662886 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1
SCHEMBL11065777 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1
SCHEMBL10346810 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1
SCHEMBL134788 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1
SCHEMBL4125398 0.89 DGKA (0.44) DGKATSHRLMNANAAANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032940-A1 METHODS FOR REDUCING ANTHRACYCLINE-INDUCED TOXICITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-07 US disclosed