SCHEMBL8971050

SCHEMBL8971050

CC(=O)Nc1cc(O)c(CC(=O)CCCCl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 5/20 0.36
ATM Q13315 1/20 0.36
ROCK2 O75116 1/20 0.35
PYGL P06737 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8971443 0.92 PGK1 (0.40) PGK1CA1CA2CA9KDM4E
SCHEMBL8971117 0.84 AGER (0.47) KDM4EKMT2APOLBMEN1LMNA
SCHEMBL7360659 0.78 AGER (0.40) PGK1CA1CA2CA9KDM4E
SCHEMBL8970918 0.76 MTNR1B (0.43) KDM4EKMT2APOLBMEN1LMNA
SCHEMBL8970733 0.75 AGER (0.43) PGK1KDM4EKMT2APOLBMEN1
SCHEMBL7360982 0.75 PGK1 (0.39) PGK1CA1CA2CA9KDM4E
SCHEMBL8971982 0.74 SMN1; SMN2 (0.41) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL8971990 0.74 CA1 (0.39) CA1CA2CA9KDM4EKMT2A
SCHEMBL8971536 0.73 MGAT2 (0.44) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL8971265 0.73 SMN1; SMN2 (0.42) CA1CA2KMT2ALMNAALDH1A1

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