SCHEMBL6424546

SCHEMBL6424546

O=C1C(=C2CCCCC2)Oc2cccc(O)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.44
MAPT P10636 7/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 4/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 3/20 0.39
USP2 O75604 3/20 0.39
HPN P05981 1/20 0.39
ALOX5 P09917 1/20 0.39
THRB P10828 1/20 0.39
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
KDR P35968 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6424333 0.98 TYR (0.46) TYRMAPTKMT2AALDH1A1TDP1
SCHEMBL14008639 0.69 TYR (0.51) TYRMAPTKMT2AALDH1A1TDP1
SCHEMBL6823716 0.69 KCNA3 (0.38) KDRMAOAMAOB
SCHEMBL11070617 0.69 MAOA (0.47) TYRMAPTKMT2AMEN1USP2
SCHEMBL14008598 0.68 TYR (0.50) TYRMAPTKMT2AALDH1A1TDP1
SCHEMBL12039694 0.68 TYR (0.36) TYRMAPTKMT2AALDH1A1TDP1
SCHEMBL3058448 0.67 TYR (0.40) TYRMAPTKMT2AALDH1A1TDP1
SCHEMBL6421978 0.67 TYR (0.49) TYRMAPTKMT2AALDH1A1TDP1
SCHEMBL6919628 0.67 TYR (0.46) TYRMAPTKMT2AALDH1A1TDP1
SCHEMBL6820583 0.66 TYR (0.44) TYRMAPTKMT2AALDH1A1TDP1

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