SCHEMBL13668317

SCHEMBL13668317

COc1ccc2c(c1)C1(CO2)COc2ccc(OC(=O)c3ccc4c(c3)C3(COc5ccc(C(C)=O)cc53)CO4)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
HIF1A Q16665 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
GBA1 P04062 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL13668318 0.92 KMT2A (0.41) KMT2ARARBRARGHIF1AESR1
SCHEMBL13668326 0.92 KMT2A (0.41) KMT2ARARBRARGHIF1AESR1
SCHEMBL13668315 0.85 KMT2A (0.44) KMT2AMAPTALDH1A1TSHRGBA1
SCHEMBL13668314 0.83 KMT2A (0.38) KMT2ARARBRARGMAPTALDH1A1
SCHEMBL13668239 0.82 KDM4E (0.50) KMT2ARARBRARGMAPTNPC1
SCHEMBL13668347 0.81 KMT2A (0.37) KMT2AHIF1AESR1ESR2MAPT
SCHEMBL9832996 0.79 HTR2B (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13668319 0.79 KMT2A (0.45) KMT2ARARBHIF1AESR1ESR2
SCHEMBL13668316 0.78 TSHR (0.45) KMT2ARARBRARGMAPTALDH1A1
SCHEMBL12578480 0.77 PRSS1 (0.43) KMT2ARARBRARGHIF1AESR1

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-7608309-B2 Resin composition, film and image display device utilizing the resin composition FUJIFILM CORPORATION (JP) 2009-10-27 US disclosed