SCHEMBL7533711

SCHEMBL7533711

CC(C)Oc1ccc(C(N)=O)cc1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
PARP10 Q53GL7 1/20 0.49
ACLY P53396 1/20 0.47
POLB P06746 3/20 0.47
KAT6A Q92794 2/20 0.42
KMT2A Q03164 3/20 0.41
SLC16A3 O15427 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CCR9 P51686 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL7533719 0.90 LMNA (0.51) LMNAHPGDTSHRACLYKAT6A
SCHEMBL7539012 0.84 LMNA (0.47) LMNAHPGDTSHRPARP10ACLY
SCHEMBL7537995 0.84 ACLY (0.56) LMNAHPGDTSHRPARP10ACLY
SCHEMBL7533715 0.82 LMNA (0.52) LMNAHPGDTSHRPOLBKAT6A
SCHEMBL7537343 0.82 S1PR3 (0.47) LMNAHPGDTSHRPARP10ACLY
SCHEMBL532975 0.80 ACLY (0.69) LMNAHPGDTSHRACLYKMT2A
SCHEMBL7533705 0.78 SCN3A (0.56) LMNATSHRACLYPOLBKMT2A
Hydrochloric Acid SCHEMBL533067 0.78 ACLY (0.68) LMNAHPGDTSHRACLYKMT2A
SCHEMBL7537207 0.78 ACLY (0.53) LMNAHPGDTSHRACLYPOLB
SCHEMBL3657767 0.77 ACLY (0.55) LMNAHPGDTSHRACLYPOLB

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
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed