SCHEMBL1442016

SCHEMBL1442016

[CH2]C(=O)c1ccc(-c2ccc(C([CH2])=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
HSD17B1 P14061 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1262244 0.89 SMN1; SMN2 (0.60) MAPTSMN1; SMN2RAB9AMEN1LMNA
SCHEMBL5428824 0.87 CES2 (0.54) MAPTSMN1; SMN2CA1CA2LMNA
SCHEMBL3282811 0.87 CES2 (0.54) MAPTCA1CA2RAB9AMEN1
SCHEMBL7639339 0.80 CHEK2 (0.57) GSK3B
SCHEMBL80529 0.79 MAPT (0.60) MAPTHSD17B1CA12CA1CA2
SCHEMBL5842596 0.79 TSHR (0.71) SMN1; SMN2BCL2L1BADCA12CA1
SCHEMBL27146 0.77 CES2 (0.62) MAPTCA1CA2RAB9AMEN1
SCHEMBL513187 0.77 TPMT (0.59) CA1CA2TP53TSHRPTPN1
SCHEMBL1259812 0.77 CES2 (0.62) MAPTBCL2L1BADCA1CA2
SCHEMBL1259416 0.77 CES2 (0.62) MAPTCA1CA2LMNATSHR

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-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 WO disclosed