SCHEMBL19040804

SCHEMBL19040804

C=C(CCCCCCCCCOCCCC)CCCCCCCCCOCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.42
USP2 O75604 1/20 0.39
LPAR2 Q9HBW0 4/20 0.39
LPAR3 Q9UBY5 4/20 0.39
CYP3A4 P08684 1/20 0.39
DGKA P23743 1/20 0.39
CES1 P23141 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PLA2G4B P0C869 1/20 0.37
LPAR6 P43657 1/20 0.37
LPAR1 Q92633 1/20 0.37

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
SCHEMBL20797245 0.95 HTT (0.56) TSHRHTTMEN1THRBKMT2A
SCHEMBL21518299 0.86 TSHR (0.54) TSHRHTTMEN1THRBKMT2A
SCHEMBL28567332 0.83 HTT (0.52) TSHRHTTMEN1THRBKMT2A
SCHEMBL18126585 0.82 TSHR (0.50) TSHRHTTMEN1THRBKMT2A
SCHEMBL31417744 0.81 MEN1 (0.38) TSHRHTTMEN1THRBKMT2A
SCHEMBL10158620 0.80 HTT (0.54) TSHRHTTMEN1THRBKMT2A
SCHEMBL20054984 0.80 HTT (0.54) TSHRHTTMEN1THRBKMT2A
SCHEMBL20854580 0.80 CES2 (0.52) TSHRMEN1THRBKMT2ACES2
SCHEMBL20854584 0.80 CES2 (0.52) TSHRMEN1THRBKMT2ACES2
SCHEMBL20854578 0.80 CES2 (0.52) TSHRMEN1THRBKMT2ACES2

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
WO-2017112865-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS MODERNATX, INC. (US) 2017-06-29 WO disclosed