SCHEMBL7215453

SCHEMBL7215453

CCOC(=O)C(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.63
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
ITGA4 P13612 5/20 0.53
ITGB1 P05556 4/20 0.53
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL7215467 0.94 NR1H4 (0.67) NR1H4KMT2AMEN1ITGA4ITGB1
SCHEMBL6940065 0.88 ITGB1 (0.57) NR1H4KMT2AMEN1ITGA4ITGB1
SCHEMBL7031467 0.83 NR1H4 (0.90) NR1H4KMT2AMEN1MAPTALDH1A1
SCHEMBL13692888 0.80 NR1H4 (0.67) NR1H4KMT2AMEN1MAPTALDH1A1
SCHEMBL1333051 0.79 NR1H4 (0.62) NR1H4KMT2AMEN1MAPTALDH1A1
SCHEMBL3522987 0.79 NR1H4 (0.69) NR1H4KMT2AMEN1MAPTALDH1A1
SCHEMBL2414237 0.78 MEN1 (0.66) NR1H4KMT2AMEN1MAPTALDH1A1
SCHEMBL13538746 0.78 NR1H4 (0.58) NR1H4KMT2AMEN1MAPTALDH1A1
SCHEMBL6041621 0.78 NR1H4 (1.00) NR1H4KMT2AMEN1MAPTALDH1A1
SCHEMBL134782 0.77 MEN1 (0.64) NR1H4KMT2AMEN1MAPTALDH1A1

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-6559179-B1 Tinvention relates to the use of compounds as inhibitors of the fatty acid synthase FabH. SMITHKLINE BEECHAM CORPORATION 2003-05-06 US disclosed