SCHEMBL6677047

SCHEMBL6677047

Cc1ccc(C(CC(=O)c2ccccc2)S(=O)(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 5/20 0.63
ALDH1A1 P00352 5/20 0.63
LMNA P02545 3/20 0.63
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
RECQL P46063 1/20 0.51
POLB P06746 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
MGAM O43451 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
TSHR P16473 1/20 0.49
HSD11B1 P28845 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6674938 0.94 RAB9A (0.56) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL6674609 0.93 RAB9A (0.55) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL28743225 0.89 NPC1 (0.64) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL22014331 0.89 TSHR (0.56) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL22014067 0.89 TSHR (0.56) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL6677049 0.89 TSHR (0.56) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL6673825 0.87 TSHR (0.55) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL10033931 0.85 KMT2A (0.54) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL6674853 0.85 ALDH1A1 (0.52) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL10033934 0.84 GAA (0.52) NPC1RAB9AALDH1A1LMNAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204636-B1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM IP ASSETS BV (NL) 2004-10-27 EP claimed
US-6639103-B1 Enantiomerically enriched forms; resolving amino functiona-lized enantiomers DSM N.V. (NL) 2003-10-28 US claimed
EP-1204636-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2002-05-15 EP claimed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 WO claimed
EP-1204636-B1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM IP ASSETS BV (NL) 2004-10-27 EP disclosed
US-6639103-B1 Enantiomerically enriched forms; resolving amino functiona-lized enantiomers DSM N.V. (NL) 2003-10-28 US disclosed
EP-1204636-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2002-05-15 EP disclosed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 WO disclosed