SCHEMBL7399956

SCHEMBL7399956

O=C(Nc1ccc(S(=O)(=O)CC(O)(COc2ccccc2)C(=O)O)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ENPP3 O14638 2/20 0.50
ENPP1 P22413 2/20 0.50
ENPP2 Q13822 1/20 0.48
TRPV4 Q9HBA0 2/20 0.48
TRPV1 Q8NER1 3/20 0.46
RORC P51449 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
LMNA P02545 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL7390354 0.92 PRMT1 (0.51) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL7397210 0.91 MEN1 (0.56) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL7394824 0.90 TRPV1 (0.50) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL7390973 0.89 ENPP1 (0.53) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL7428930 0.89 KMT2A (0.51) RAB9AMEN1KMT2ALMNAL3MBTL1
SCHEMBL7397231 0.88 NPC1 (0.53) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7392377 0.87 MEN1 (0.47) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL7393966 0.84 KCNQ3 (0.51) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7394728 0.84 MAPT (0.54) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7396365 0.82 NPC1 (0.51) NPC1RAB9AENPP3ENPP1ENPP2

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-2002006215-A1 3-ARYLSULFONYL-2-HYDROXY-2-METHYLPROPANOIC ACID DERIVATES PHARMACIA ITALIA S.P.A. (IT) 2002-01-24 WO disclosed