SCHEMBL10397472

SCHEMBL10397472

O=C(O)CCCCc1cccnc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.46
F13A1 P00488 3/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LTB4R Q15722 4/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP4A11 Q02928 1/20 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
SCHEMBL8506280 0.84 THRA (0.46) TBXAS1MAPT
SCHEMBL8503787 0.83 THRA (0.42) MAPTFFAR4
SCHEMBL19099076 0.80 KDM4E (0.56) MAPT
SCHEMBL2570049 0.77 TBXAS1 (0.51) TBXAS1F13A1MAPTRXFP1CYP4A11
SCHEMBL13827596 0.73 GRM5 (0.41)
SCHEMBL17029329 0.73 OPRL1 (0.41)
SCHEMBL20818441 0.73 KDM4E (0.41) MAPT
SCHEMBL22826566 0.72 MAPT (0.67) TBXAS1F13A1MAPTRXFP1LTB4R
SCHEMBL26547489 0.71 SHMT2 (0.51) TBXAS1MAPTCYP4A11
SCHEMBL20817897 0.70 OPRL1 (0.40)

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-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed