SCHEMBL7186773

SCHEMBL7186773

[CH2]C(O)CCCOCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
USP2 O75604 1/20 0.50
SPHK1 Q9NYA1 1/20 0.44
CES2 O00748 2/20 0.44
LPAR5 Q9H1C0 4/20 0.42
TSHR P16473 1/20 0.41
PLA2G2C Q5R387 3/20 0.41
CES1 P23141 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LPAR6 P43657 3/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR4 Q99677 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39

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
SCHEMBL6008178 0.90 HTT (0.55) HTTMEN1THRBKMT2AMAPT
SCHEMBL1784666 0.83 TSHR (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL20725735 0.83 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL20377399 0.82 GPR84 (0.50) HTTTHRBMAPTSPHK1TSHR
SCHEMBL5708996 0.82 GPR84 (0.50) HTTTHRBMAPTSPHK1TSHR
SCHEMBL9705945 0.82 GPR84 (0.50) HTTTHRBMAPTSPHK1TSHR
SCHEMBL400932 0.82 GPR84 (0.50) HTTTHRBMAPTSPHK1TSHR
SCHEMBL5708866 0.82 GPR84 (0.50) HTTTHRBMAPTSPHK1TSHR
SCHEMBL1246349 0.82 GPR84 (0.50) HTTTHRBMAPTSPHK1TSHR
SCHEMBL351276 0.82

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-6586519-B1 Compounds which exhibit enhanced ultraviolet radiation absorption CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-01 US disclosed