SCHEMBL6548631

SCHEMBL6548631

COC(=O)c1ccc(OC(C)Oc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 1/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
STS P08842 1/20 0.53
TSHR P16473 1/20 0.52
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
PARP10 Q53GL7 1/20 0.48

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
SCHEMBL1854840 0.88 KMT2A (0.66) CA1CA2KMT2AMEN1MAPT
SCHEMBL7196748 0.88 KMT2A (0.55) CA1CA2KMT2AMEN1MAPT
SCHEMBL6285461 0.86 CA1 (0.62) CA1CA2KMT2AMEN1MAPT
SCHEMBL19117541 0.86 SMN1; SMN2 (0.55) CA1CA2KMT2AMEN1MAPT
SCHEMBL24943239 0.85 CA1 (0.60) CA1CA2KMT2AMEN1MAPT
SCHEMBL6616955 0.85 CA1 (0.60) CA1CA2KMT2AMEN1MAPT
SCHEMBL7196753 0.84 MAPT (0.54) CA1CA2KMT2AMEN1MAPT
SCHEMBL12943420 0.84 SMN1; SMN2 (0.52) CA1CA2KMT2AMEN1MAPT
SCHEMBL4261434 0.83 MEN1 (0.71) CA1CA2KMT2AMEN1MAPT
SCHEMBL28579268 0.83 KMT2A (0.67) CA1CA2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141076-B1 PREPARATION OF A COPOLYETHER ESTER DSM IP ASSETS BV (NL) 2004-01-28 EP claimed
EP-0133413-A2 Random elastomeric copolyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-02-20 EP claimed
US-4452965-A Random elastomeric copolyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-06-05 US claimed
EP-1141076-B1 PREPARATION OF A COPOLYETHER ESTER DSM IP ASSETS BV (NL) 2004-01-28 EP disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed
EP-0133413-A3 RANDOM ELASTOMERIC COPOLYESTERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-09-25 EP disclosed
EP-0133413-A2 Random elastomeric copolyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-02-20 EP disclosed
EP-0133413-A2 Random elastomeric copolyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-02-20 EP disclosed
US-4452965-A Random elastomeric copolyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-06-05 US disclosed
US-4452965-A Random elastomeric copolyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-06-05 US disclosed