SCHEMBL7620599

SCHEMBL7620599

CCCCCCC=CCCCCCCCCC(=O)NC(CC)CO

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.63
CNR1 P21554 1/20 0.62
CETP P11597 2/20 0.61
THRB P10828 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KCNK3 O14649 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CNR2 P34972 1/20 0.59
BLM P54132 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LPAR3 Q9UBY5 1/20 0.56
PLA2G4A P47712 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
ASAH2 Q9NR71 1/20 0.56
FAAH O00519 1/20 0.56

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 1.00 DEGS1 (0.63) DEGS1CNR1CETPTHRBMEN1
SCHEMBL7619349 1.00 DEGS1 (0.63) DEGS1CNR1CETPTHRBMEN1
SCHEMBL7621349 1.00 DEGS1 (0.63) DEGS1CNR1CETPTHRBMEN1
SCHEMBL7622257 1.00 DEGS1 (0.63) DEGS1CNR1CETPTHRBMEN1
SCHEMBL7620608 0.97 CNR1 (0.59) DEGS1CNR1CETPTHRBMEN1
SCHEMBL7623440 0.97 CNR1 (0.59) DEGS1CNR1CETPTHRBMEN1
SCHEMBL14199487 0.96 CNR1 (0.69) DEGS1CNR1THRBMEN1KMT2A
SCHEMBL2168034 0.94 DEGS1 (0.66) DEGS1CNR1CETPTHRBMEN1
SCHEMBL2168031 0.94 DEGS1 (0.66) DEGS1CNR1CETPTHRBMEN1
SCHEMBL2058960 0.92 FAAH (0.60) DEGS1CETPTHRBMEN1KMT2A

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-6444832-B1 OSTEOPOROSIS ESSWEIN ANGELIKA (DE) 2002-09-03 US disclosed