SCHEMBL14199487

SCHEMBL14199487

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(CC)CO

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.69
ALDH1A1 P00352 3/20 0.67
CNR2 P34972 3/20 0.67
BLM P54132 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
KCNK3 O14649 1/20 0.67
THRB P10828 1/20 0.67
HPGD P15428 2/20 0.60
TRPV1 Q8NER1 1/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
ALOX12 P18054 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
SLC6A5 Q9Y345 1/20 0.59
DEGS1 O15121 1/20 0.59

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
SCHEMBL14010922 0.96 DEGS1 (0.63) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL7622257 0.96 DEGS1 (0.63) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL7620599 0.96 DEGS1 (0.63) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL7621349 0.96 DEGS1 (0.63) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL7619349 0.96 DEGS1 (0.63) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL22341756 0.94 CNR1 (0.72) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL7620608 0.93 CNR1 (0.59) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL7623440 0.93 CNR1 (0.59) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL7618635 0.92 CNR1 (0.59) CNR1ALDH1A1CNR2BLMTDP1
SCHEMBL13700564 0.90 CNR1 (0.67) CNR1ALDH1A1CNR2BLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644318-B1 METHOD FOR SYNTHESIZING CERAMIDE-TYPE COMPOUNDS BIOCHIMIE APPLIQUEE SA SOLABIA (FR) 2008-05-07 EP disclosed
US-7344868-B2 Method for synthesizing ceramide-type compounds LASSALLE LAURENT 2008-03-18 US disclosed
US-7344868-B2 Method for synthesizing ceramide-type compounds LASSALLE LAURENT 2008-03-18 US disclosed