SCHEMBL8971990

SCHEMBL8971990

CC(=O)Nc1cc(O)c(CC(=O)CCCBr)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SNCA P37840 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HDAC1 Q13547 2/20 0.31
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
GFER P55789 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PHPT1 Q9NRX4 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL7350967 0.75 CA1 (0.40) CA1CA2CA9MAPTPOLB
SCHEMBL8971050 0.74 PGK1 (0.39) CA1CA2CA9MAPTPOLB
SCHEMBL1134926 0.71 CA1 (0.53) CA1CA2CA9MAPTPOLB
SCHEMBL29501816 0.71 CA1 (0.53) CA1CA2CA9MAPTPOLB
SCHEMBL8971443 0.70 PGK1 (0.40) CA1CA2CA9MAPTPOLB
SCHEMBL18750435 0.69 CA1 (0.56) CA1CA2CA9MAPTPOLB
SCHEMBL8488270 0.66 CA1 (0.44) CA1CA2CA9MAPTPOLB
SCHEMBL26961906 0.65 CA1 (0.49) CA1CA2CA9MAPTPOLB
SCHEMBL16769416 0.64 CA1 (0.45) CA1CA2CA9MAPTPOLB
SCHEMBL3298778 0.64 SMN1; SMN2 (0.54) CA1CA2CA9MAPTPOLB

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
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed