SCHEMBL3890673

SCHEMBL3890673

Cc1ccc(S(=O)(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
ALDH1A1 P00352 7/20 0.68
CYP3A4 P08684 3/20 0.68
HPGD P15428 2/20 0.68
LMNA P02545 2/20 0.60
CYP1B1 Q16678 3/20 0.59
BCHE P06276 2/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
MAOB P27338 5/20 0.58
MAOA P21397 2/20 0.58
STS P08842 1/20 0.57
KMT2A Q03164 5/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
MEN1 O00255 3/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTPN1 P18031 1/20 0.54

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
SCHEMBL27755220 1.00 MAPT (0.68) MAPTALDH1A1CYP3A4HPGDLMNA
SCHEMBL27840727 0.91 STS (0.64) MAPTALDH1A1CYP3A4HPGDLMNA
SCHEMBL29275355 0.90 BCHE (0.75) MAPTALDH1A1CYP3A4LMNACYP1B1
SCHEMBL25199779 0.89 MAOB (0.68) MAPTALDH1A1CYP1B1BCHEMAOB
SCHEMBL13434627 0.89 MAOB (0.68) MAPTALDH1A1CYP1B1BCHEMAOB
SCHEMBL25190545 0.89 MAOB (0.68) MAPTALDH1A1CYP1B1BCHEMAOB
SCHEMBL29275331 0.88 STS (0.57) MAPTALDH1A1CYP3A4HPGDLMNA
SCHEMBL27775812 0.88 MAOB (0.58) MAPTALDH1A1CYP3A4HPGDLMNA
SCHEMBL27840728 0.88 MAOB (0.58) MAPTALDH1A1CYP3A4HPGDLMNA
SCHEMBL28574144 0.85 ALDH1A1 (0.65) ALDH1A1HPGDLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102199113-A Method for screening anti-cancer compounds inhibiting function of TM4SF5 and anti-cancer composition containing chalcone compounds SNU R&DB FOUNDATION 2011-09-28 CN claimed
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 claimed
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 claimed
CN-101528210-B Method for screening anticancer compound inhibiting TM4SF5 function and anticancer composition containing chalcone compound SEOUL NAT UNIV IND FOUNDATION 2012-05-23 CN disclosed
CN-102199113-A Method for screening anti-cancer compounds inhibiting function of TM4SF5 and anti-cancer composition containing chalcone compounds SNU R&DB FOUNDATION 2011-09-28 CN disclosed