SCHEMBL3899598

SCHEMBL3899598

Cc1ccc(S(=O)(=O)NC2(O)C=CC(C=CC(=O)c3ccccc3)=CC2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1B1 Q16678 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 6/20 0.38
NPSR1 Q6W5P4 4/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CA12 O43570 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL3767577 0.93 MAPT (0.37) ALDH1A1MAPTHPGDCYP3A4CYP1B1
SCHEMBL3897331 0.91 KMT2A (0.41) ALDH1A1MAPTCYP3A4CYP1B1RAB9A
SCHEMBL3895890 0.90 KMT2A (0.41) MAPTCYP3A4CYP1B1SMN1; SMN2LMNA
SCHEMBL3902581 0.87 MAOB (0.47) ALDH1A1MAPTCYP1B1NPC1RAB9A
SCHEMBL3891424 0.84 PKM (0.38) ALDH1A1MAPTCYP3A4SMN1; SMN2NPC1
SCHEMBL3890483 0.82 MAPT (0.33) ALDH1A1MAPTHPGDCYP3A4CYP1B1
SCHEMBL27869381 0.79 ALDH1A1 (0.43) ALDH1A1MAPTHPGDCYP3A4CYP1B1
SCHEMBL5323475 0.72 CYP1B1 (0.47) ALDH1A1MAPTHPGDCYP3A4CYP1B1
SCHEMBL5324147 0.70 MAPT (0.38) ALDH1A1MAPTHPGDCYP3A4CYP1B1
SCHEMBL3899594 0.70 ALDH1A1 (0.38) ALDH1A1MAPTHPGDCYP3A4CYP1B1

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-2099440-A1 METHOD FOR SCREENING ANTI-CANCER COMPOUNDS INHIBITING FUNCTION OF TM4SF5 AND ANTI-CANCER COMPOSITION CONTAINING CHALCONE COMPOUNDS Seoul National University Industry Foundation (KR) 2009-09-16 EP disclosed
WO-2008069608-A1 METHOD FOR SCREENING ANTI-CANCER COMPOUNDS INHIBITING FUNCTION OF TM4SF5 AND ANTI-CANCER COMPOSITION CONTAINING CHALCONE COMPOUNDS SEOUL NATIONALUNIVERSITY INDUSTRY FOUNDATION (KR) 2008-06-12 WO disclosed