SCHEMBL6458447

SCHEMBL6458447

COCCNS(=O)(=O)CCc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
KAT6A Q92794 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
AKR1C3 P42330 2/20 0.42
HPGD P15428 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6461535 0.81 MEN1 (0.47) NPC1RAB9AL3MBTL1MMP1MMP7
SCHEMBL6454767 0.81 L3MBTL1 (0.47) L3MBTL1MMP1MMP7MMP8MMP12
SCHEMBL28896685 0.77 NPC1 (0.51) NPC1RAB9AL3MBTL1HPGD
SCHEMBL688533 0.75 L3MBTL1 (0.53) L3MBTL1KAT6A
SCHEMBL688163 0.74 PTGS1 (0.54) HPGDMAPT
SCHEMBL687746 0.74 L3MBTL1 (0.52) L3MBTL1KAT6A
SCHEMBL688859 0.73 GAA (0.49) HPGDMAPT
SCHEMBL13310038 0.73 GAA (0.49) HPGDMAPT
SCHEMBL1998286 0.73 ALDH1A1 (0.60) NPC1RAB9AMMP1MMP8MMP13
SCHEMBL687745 0.72 ATM (0.50) L3MBTL1MMP1MMP8KAT6A

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
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed