SCHEMBL11070699

SCHEMBL11070699

CCc1cccc(C(=O)C(O)C(C)N)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.44
SLC7A5 Q01650 4/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
BCL2 P10415 1/20 0.42
PTGS2 P35354 1/20 0.41
KAT6A Q92794 2/20 0.41
CNR2 P34972 1/20 0.41
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
MEP1B Q16820 2/20 0.37
FOLH1 Q04609 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
SCHEMBL9041418 0.85 SMYD3 (0.47) SMYD3SLC7A5LOXL2BCL2PTGS2
SCHEMBL11062513 0.83 BCL2 (0.46) SMYD3SLC7A5LOXL2BCL2PTGS2
SCHEMBL8400086 0.82 SMYD3 (0.47) SMYD3SLC7A5LOXL2BCL2PTGS2
SCHEMBL7107879 0.82 BCL2 (0.47) SMYD3SLC7A5LOXL2BCL2PTGS2
SCHEMBL10277237 0.82 BCL2 (0.47) SMYD3SLC7A5LOXL2BCL2PTGS2
SCHEMBL11065158 0.79 LOXL2 (0.47) SMYD3SLC7A5LOXL2BCL2PTGS2
SCHEMBL7756387 0.79 BCL2 (0.49) SMYD3SLC7A5LOXL2BCL2PTGS2
SCHEMBL19707742 0.79 BCL2 (0.45) SMYD3SLC7A5LOXL2BCL2PTGS2
SCHEMBL11068002 0.79 PARP1 (0.55)
SCHEMBL3362947 0.77 GSK3B (0.51) SMYD3SLC7A5LOXL2BCL2PTGS2

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-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed