SCHEMBL4657354

SCHEMBL4657354

O=COc1ccc(OC=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CBFB Q13951 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSPB1 P04792 1/20 0.31
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL27893766 0.77 L3MBTL1 (0.37) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL27747642 0.77 ALDH5A1 (0.33) KDM4EALDH1A1L3MBTL1
SCHEMBL12010427 0.77 KDM4E (0.46) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27893983 0.77 ALDH1A1 (0.39) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12225600 0.77 CHRNA3 (0.41)
SCHEMBL13513874 0.77 KMT2A (0.42) KDM4EKMT2A
SCHEMBL12711285 0.76 CYP19A1 (0.49) KDM4EALDH1A1L3MBTL1ACACBACACA
SCHEMBL28845158 0.74 NSD2 (0.35) POLB
SCHEMBL6454577 0.72 ALDH1A1 (0.38) KDM4EALDH1A1CBFB
SCHEMBL15730973 0.72 KDM4E (0.33) KDM4ECBFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877466-B1 PROCESS FOR THE PRODUCTION OF POLYARENEAZOLE POLYMER DU PONT (US) 2014-02-26 EP claimed
EP-1866467-B1 PROCESS FOR THE PRODUCTION OF POLYARENAZOLE YARN DU PONT (US) 2008-12-17 EP claimed
EP-1879942-B1 PROCESSES FOR PREPARING HIGH INHERENT VISCOSITY POLYARENEAZOLES USING METAL POWDERS MAGELLAN SYSTEMS INT LLC (US) 2008-12-03 EP claimed