SCHEMBL8917997

SCHEMBL8917997

CC(CCCC=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.38
RCE1 Q9Y256 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL18595449 0.90 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL11180777 0.81 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL11180782 0.81 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL21695449 0.80 CTSK (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL11577777 0.80 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6679829 0.80 CTSK (0.43) MAPTCTSKCTSLCTSBCTSH
SCHEMBL28090321 0.78 SLC1A1 (0.49) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4443355 0.78 FAAH (0.40) MAPTRCE1ALDH1A1TSHRLMNA
SCHEMBL4443362 0.78 FAAH (0.40) MAPTRCE1ALDH1A1TSHRLMNA
SCHEMBL1014269 0.78 TSHR (0.39) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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-5656260-A CONSISTS OF (3Z,,6Z)DODECADIENE-12-OLIDE AND 13-METHYL-(3Z,5Z)-13-OLIDE TOGETHER WITH FUNGAL VOLATILE SELECTED FROM 1-OCTEN-3-OL, 3-OCTANOL, 3-METHYLBUTANOL; EFFECTIVE TRAP FOR OKRYZAEPHILUS SURINAMENSIS BETTLE THE MINISTER OF AGRICULTURE FISHERIES AND FOOD IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE U.K. OF GT. BRITAIN AND N. IRELAND (GB) 1997-08-12 US disclosed