SCHEMBL755402

SCHEMBL755402

C=COc1ccc(C(C)(c2ccc(OC=C)cc2)c2ccc(OC=C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP19A1 P11511 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL754940 0.94 HPGD (0.37) ESR1ESR2CYP19A1NPC1ALDH1A1
SCHEMBL14289129 0.92 ESR1 (0.48) ESR1ESR2CYP19A1ALDH1A1MAPT
SCHEMBL1023907 0.86 HPGD (0.41) ESR1ESR2NPC1ALDH1A1MAPT
SCHEMBL3786415 0.86 MAPT (0.47) NPC1ALDH1A1MAPTHPGDMAPK1
SCHEMBL14289131 0.81 ESR1 (0.38) ESR1ESR2NPC1ALDH1A1MAPT
SCHEMBL473606 0.80 CHRNB2 (0.34) NPC1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL13018433 0.79 SMN1; SMN2 (0.49) ESR1ESR2NPC1ALDH1A1MAPK1
SCHEMBL15447941 0.79 TSHR (0.41) ESR1ESR2CYP19A1ALDH1A1MAPT
SCHEMBL8872799 0.79 MAPT (0.41) NPC1ALDH1A1MAPTHPGDMAPK1
SCHEMBL13018431 0.78 CYP3A4 (0.53) ESR1NPC1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349916-B2 Actinic energy radiation curable ink-jet ink, ink-jet recording method, and printed matter KONICA MINOLTA IJ TECHNOLOGIES, INC. (JP) 2013-01-08 US disclosed
EP-2228415-B1 Actinic energy radiation curable ink-jet ink, ink-jet recoring method, and printed matter KONICA MINOLTA IJ TECHNOLOGIES (JP) 2012-03-21 EP disclosed
US-20100233446-A1 ACTINIC ENERGY RADIATION CURABLE INK-JET INK, INK-JET RECORDING METHOD, AND PRINTED MATTER KONICA MINOLTA IJ TECHNOLOGIES, INC. (JP) 2010-09-16 US disclosed
EP-2228415-A1 Acting energy radiation curable ink-jet ink, ink-jet recoring method, and printed matter Konica Minolta IJ Technologies, Inc. (JP) 2010-09-15 EP disclosed
US-7316883-B2 Heat-sensitive lithographic printing plate FUJILFILM CORPORATION, LTD. (JP) 2008-01-08 US disclosed