SCHEMBL20725735

SCHEMBL20725735

CCCCCCCCCCCCOCCCC(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.56
USP2 O75604 1/20 0.53
SPHK1 Q9NYA1 1/20 0.47
CES2 O00748 2/20 0.47
LPAR5 Q9H1C0 4/20 0.44
TSHR P16473 1/20 0.44
PLA2G2C Q5R387 2/20 0.43
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LPAR6 P43657 3/20 0.41
LPAR1 Q92633 3/20 0.41
LPAR4 Q99677 3/20 0.41
LPAR2 Q9HBW0 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41

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
SCHEMBL27716413 0.95 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL9511462 0.95 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL28927785 0.91 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL28927788 0.91 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL28309245 0.91 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL2302583 0.91 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL5328984 0.91 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL28927784 0.91 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL28927786 0.91 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL28125516 0.91 HTT (0.56) HTTMEN1THRBKMT2AMAPT

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
EP-3441382-A1 OXA ACID COMPOUND Moresco Corporation (JP) 2019-02-13 EP disclosed