SCHEMBL3821137

SCHEMBL3821137

C=C=CC#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
MAPT P10636 4/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
GRM5 P41594 1/20 0.37
NPC1 O15118 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2092476 0.75 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL840229 0.75 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5507856 0.74 APP (0.61) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5507858 0.74 APP (0.61) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9146168 0.74 APP (0.61) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9434307 0.71 APP (0.50) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL136424 0.70 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8696089 0.70 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6244468 0.70 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6234793 0.70 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed