SCHEMBL7397231

SCHEMBL7397231

COc1ccc(C(=O)Nc2ccc(S(=O)(=O)CC(O)(COc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP2 P08253 2/20 0.52
MMP3 P08254 1/20 0.52
MMP13 P45452 1/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
GAA P10253 2/20 0.50
MMP9 P14780 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RECQL P46063 1/20 0.48

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) NPC1RAB9ATDP1LMNAKMT2A
SCHEMBL7397210 0.89 MEN1 (0.56) NPC1RAB9ATDP1LMNAMAPT
SCHEMBL7390973 0.89 ENPP1 (0.53) NPC1RAB9AHSD17B10MMP2MMP3
SCHEMBL7394824 0.88 TRPV1 (0.50) NPC1RAB9AMMP2CYP1A2LMNA
SCHEMBL7399956 0.88 NPC1 (0.51) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL7392377 0.87 MEN1 (0.47) NPC1RAB9AMMP2MMP3MMP13
SCHEMBL7428930 0.87 KMT2A (0.51) RAB9AMMP13ALDH1A1KDM4ELMNA
SCHEMBL7493288 0.84 RAB9A (0.51) NPC1RAB9AHSD17B10TDP1MMP2
SCHEMBL7392495 0.84 ENPP1 (0.50) HSD17B10MMP2MMP3MMP13MAPT
SCHEMBL7393966 0.84 KCNQ3 (0.51) NPC1RAB9ATDP1ALDH1A1KDM4E

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