SCHEMBL6424903

SCHEMBL6424903

CCCC(CCC)=C1Oc2cccc(O)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.43
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPN P05981 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
THRB P10828 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
KDR P35968 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL6421978 0.79 TYR (0.49) TYRALDH1A1MAPTALOX15TSHR
SCHEMBL6820551 0.75 TYR (0.46) TYRALDH1A1MAPTALOX15TSHR
SCHEMBL6919628 0.75 TYR (0.46) TYRALDH1A1MAPTALOX15TSHR
SCHEMBL6823698 0.72 TYR (0.43) TYRALDH1A1MAPTALOX15TSHR
SCHEMBL6820583 0.71 TYR (0.44) TYRALDH1A1MAPTALOX15TSHR
SCHEMBL14008639 0.68 TYR (0.51) TYRALDH1A1MAPTALOX15TSHR
SCHEMBL6424905 0.68 TYR (0.51) TYRALDH1A1MAPTALOX15HSD17B10
SCHEMBL6820553 0.68 TYR (0.55) TYRMAOAMAOBSTK17B
SCHEMBL14008598 0.67 TYR (0.50) TYRALDH1A1MAPTALOX15TSHR
SCHEMBL6824396 0.65 TYR (0.58) TYRALDH1A1MAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
US-6200989-B1 ADMINISTERING AS UROKINASE PLASMINOGEN ACTIVATOR ANTAGONISTS, ANTITUMOR AND ANTIMETASTASIS AGENTS HOFFMANN-LA ROCHE INC. 2001-03-13 US disclosed
EP-1012147-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed
WO-1999006387-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-02-11 WO disclosed