SCHEMBL11645482

SCHEMBL11645482

C=C(C)C(=O)c1ccc(CCC)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.75
THRA P10827 6/20 0.75
PLK1 P53350 2/20 0.55
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 3/20 0.49
CTDSP1 Q9GZU7 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 1/20 0.44
RARB P10826 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43

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
SCHEMBL9850596 0.84 THRA (0.64) THRBTHRAPLK1MAPTPOLB
SCHEMBL11047142 0.82 THRB (0.63) THRBTHRAPLK1MAPTL3MBTL1
SCHEMBL28670034 0.81 MAPT (0.71) THRBTHRAMAPTKMT2AMEN1
SCHEMBL21840691 0.80 THRA (0.59) THRBTHRAMAPTALDH1A1KMT2A
SCHEMBL29062361 0.80 L3MBTL1 (0.59) THRBTHRAPLK1MAPTL3MBTL1
SCHEMBL1363306 0.79 THRB (0.55) THRBTHRAPLK1MAPTL3MBTL1
SCHEMBL1483217 0.79 KMT2A (0.64) THRBTHRAPLK1MAPTL3MBTL1
SCHEMBL18286692 0.78 THRB (0.57) THRBTHRAPLK1MAPTALDH1A1
SCHEMBL19405232 0.78 THRA (0.57) THRBTHRAMAPTKDM4EKMT2A
SCHEMBL2830327 0.78 CES2 (0.60) THRBPLK1L3MBTL1POLBCTDSP1

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-4104333-A COMPOSITIONS CONTAINING CROSSLINKING MONOMERS, MONOACRYLATES, INITIATORS AND ACCELERATORS LEE PHARMACEUTICALS (US) 1978-08-01 US disclosed