SCHEMBL14698302

SCHEMBL14698302

CCCCCC(CC)OC(=O)C(=Cc1ccccc1)OC.CCCCCC(CC)OC(=O)C(=Cc1ccccc1)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
CTSH P09668 1/20 0.38
EGFR P00533 1/20 0.38
PRKCA P17252 1/20 0.37
PRKCD Q05655 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
SCHEMBL62157 1.00 CTSK (0.44) CTSKCTSLCTSBCNR2LMNA
SCHEMBL19717782 0.96 CTSK (0.42) CTSKCTSLCTSBCNR2LMNA
Glycine SCHEMBL4305400 0.94 CTSK (0.40) CTSKCTSLCTSBCNR2LMNA
Stearic Acid SCHEMBL15049028 0.93 TDP1 (0.43) CTSKCTSLCTSBLMNAMEN1
Cinnamic Acid SCHEMBL14166230 0.93 EGFR (0.44) CTSKCTSLCTSBCNR2LMNA
SCHEMBL670603 0.89 LMNA (0.43) CTSKCTSLCTSBCNR2LMNA
SCHEMBL27732215 0.89 ALDH1A1 (0.41) CTSKCTSLCTSBLMNAMEN1
SCHEMBL29402668 0.89 LMNA (0.39) CTSKCTSLCTSBCNR2LMNA
SCHEMBL10476049 0.89 MEN1 (0.49) CTSKCTSLCTSBCNR2LMNA
SCHEMBL27641660 0.89 CTSK (0.45) CTSKCTSLCTSBCNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744907-A1 METHOD FOR PRODUCING 4-AMINOBUTYRIC ACID FROM ALGAE Evonik Degussa GmbH (DE) 2014-06-25 EP disclosed
WO-2013023873-A1 METHOD FOR PRODUCING 4-AMINOBUTYRIC ACID FROM ALGAE EVONIK GOLDSCHMIDT GMBH (DE) 2013-02-21 WO disclosed