SCHEMBL4445232

SCHEMBL4445232

CCCC[C@@H](C)OC(=O)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.58
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
NAAA Q02083 1/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38

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
SCHEMBL5467177 1.00 FAAH (0.58) FAAHCNR1CNR2EPHX2ALDH1A1
SCHEMBL6828062 0.94 FAAH (0.66) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL28938753 0.93 FAAH (0.69) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL28854765 0.93 FAAH (0.69) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL28507255 0.93 FAAH (0.69) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL7945794 0.93 FAAH (0.69) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL8506456 0.93 FAAH (0.69) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL28727480 0.91 FAAH (0.67) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL28315601 0.91 FAAH (0.67) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL905488 0.90 FAAH (0.64) FAAHCNR1CNR2EPHX2ALDH1A1

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-7534908-B2 Method for the production of optically active 3-alkylcarboxylic acids and the intermediate products thereof WACKER CHEMIE AG (DE) 2009-05-19 US disclosed