SCHEMBL754940

SCHEMBL754940

C=COc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(OC=C)cc3)c3ccc(OC=C)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
AR P10275 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL1023907 0.94 HPGD (0.41) HPGDESR1ESR2TSHRCYP3A4
SCHEMBL755402 0.94 ESR1 (0.35) HPGDESR1ESR2ALDH1A1MAPT
SCHEMBL14289131 0.88 ESR1 (0.38) HPGDESR1ESR2TSHRCYP3A4
SCHEMBL14289129 0.86 ESR1 (0.48) ESR1ESR2CYP3A4ALDH1A1KMT2A
SCHEMBL15447941 0.86 TSHR (0.41) HPGDESR1ESR2TSHRCYP3A4
SCHEMBL13018433 0.86 SMN1; SMN2 (0.49) ESR1ESR2CYP3A4ALDH1A1KMT2A
SCHEMBL5025771 0.85 ESR2 (0.59) HPGDESR1ESR2TSHRCYP3A4
SCHEMBL3786415 0.81 MAPT (0.47) HPGDTSHRHSD17B10ALDH1A1MAPT
Ethylene Glycol SCHEMBL607522 0.79 KDM4E (0.47) ESR1ESR2CYP3A4ALDH1A1KMT2A
SCHEMBL15869178 0.76 CA12 (0.45) HPGDTSHRARPSMB1PSMB5

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