SCHEMBL9975751

SCHEMBL9975751

CCOc1ccc(OC(=O)c2ccc(-c3ccc(C(=O)Oc4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MAPT P10636 5/20 0.57
THRB P10828 1/20 0.57
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
LMNA P02545 2/20 0.54
MAOB P27338 1/20 0.54
PRSS1 P07477 1/20 0.52
ACR P10323 1/20 0.52
PARP10 Q53GL7 1/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 2/20 0.50
MEN1 O00255 1/20 0.50
PLK1 P53350 1/20 0.49

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
SCHEMBL5961788 1.00 KMT2A (0.61) KMT2AMAPTTHRBCCNCCDK8
SCHEMBL5961799 0.95 KMT2A (0.66) KMT2AMAPTTHRBCCNCCDK8
SCHEMBL12536665 0.95 KMT2A (0.66) KMT2AMAPTTHRBCCNCCDK8
SCHEMBL12736338 0.94 KMT2A (0.68) KMT2AMAPTTHRBCCNCCDK8
SCHEMBL11943005 0.94 KMT2A (0.68) KMT2AMAPTTHRBCCNCCDK8
SCHEMBL25491839 0.88 PRSS1 (0.63) KMT2ALMNAPRSS1ACRPARP10
SCHEMBL2455357 0.88 KMT2A (0.73) KMT2AMAPTTHRBCCNCCDK8
SCHEMBL14346600 0.88 PRSS1 (0.63) KMT2ALMNAPRSS1ACRPARP10
SCHEMBL14640204 0.88 PRSS1 (0.63) KMT2ALMNAPRSS1ACRPARP10
SCHEMBL14346595 0.88 PRSS1 (0.63) KMT2ALMNAPRSS1ACRPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156399-A1 CELLULOSE ESTER FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND PROCESS FOR PRODUCING CELLULOSE ESTER FILM FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed