SCHEMBL6693971

SCHEMBL6693971

CC(=O)Oc1cc(OC(C)=O)c2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 4/20 0.47
BACE1 P56817 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TTR P02766 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.43
PTGS1 P23219 2/20 0.43

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
SCHEMBL8085059 0.88 TSHR (0.46) HTTMAPTMAPK1KDM4ESLC22A6
SCHEMBL15103581 0.84 ALDH1A1 (0.44) HTTMAPTMAPK1KDM4EALDH1A1
SCHEMBL27656394 0.83 HTT (0.53) HTTMAPTMAPK1KDM4EBACE1
SCHEMBL9035473 0.83 HTT (0.57) HTTMAPTMAPK1KDM4ESLC22A6
SCHEMBL27822331 0.83 NQO2 (0.53) HTTMAPTKDM4EBACE1LMNA
SCHEMBL24955836 0.82 HTT (0.60) HTTMAPTMAPK1KDM4ESLC22A6
SCHEMBL16210684 0.82 ELANE (0.46) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL9476254 0.81 KDM4E (0.50) MAPTMAPK1KDM4ELMNAALDH1A1
SCHEMBL22435455 0.81 HTT (0.51) HTTMAPTMAPK1KDM4ESLC22A6
SCHEMBL27635351 0.81 HTT (0.51) HTTMAPTMAPK1KDM4ESLC22A6

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-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed