SCHEMBL9401906

SCHEMBL9401906

COC(=O)/C(=C\c1ccco1)C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
TDP1 Q9NUW8 4/20 0.54
POLB P06746 3/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.42
MASP2 O00187 1/20 0.41
F2 P00734 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL9401911 1.00 MAPT (0.61) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL20176812 1.00 MAPT (0.61) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL20163171 0.92 MAPT (0.67) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL9316158 0.86 MAPT (0.63) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL17439333 0.83 MAPT (0.56) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL17439335 0.83 MAPT (0.56) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL10377521 0.83 TDP1 (0.63) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL11690331 0.83 TDP1 (0.63) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL20176814 0.83 TDP1 (0.63) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL27465110 0.81 MAPT (0.71) MAPTTDP1POLBKDM4EL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP disclosed