SCHEMBL6673551

SCHEMBL6673551

C=CCC(=O)Oc1ccc(-c2ncc(CC=C)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
THRB P10828 3/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
RARB P10826 1/20 0.34
ALOX5 P09917 1/20 0.33
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33

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
SCHEMBL9501910 0.91 SMN1; SMN2 (0.38) HTTMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL11389973 0.83 MAPT (0.51) MAPTSMN1; SMN2KMT2ANPC1THRB
SCHEMBL8943415 0.81 NPC1 (0.45) HTTMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9005809 0.80 HTT (0.52) HTTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10578448 0.80 MAPT (0.44) MAPTSMN1; SMN2KMT2ANPC1THRB
SCHEMBL9018434 0.79 RAB9A (0.39) MAPTSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL6025125 0.77 ALDH1A1 (0.43) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL8586984 0.77 RARB (0.55) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL9505777 0.76 MAPT (0.41) HTTMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL9638630 0.76 ALDH1A1 (0.42) MAPTSMN1; SMN2KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147162-B1 FERROELECTRIC ACTIVE MATRIX DISPLAYS WITH WIDE OPERATING TEMPERATURE RANGE CLARIANT GMBH (DE) 2004-06-09 EP disclosed
US-6746731-B1 ACHIEVES VERY HIGH MAXIMUM TRANSMISSION AND VERY HIGH CONTRAST AND CONSTANT THRESHOLD VOLTAGE OVER BROAD TEMPERATURE RANGE CLARIANT GMBH (DE) 2004-06-08 US disclosed
EP-1147162-A1 FERROELECTRIC ACTIVE MATRIX DISPLAYS WITH WIDE OPERATING TEMPERATURE RANGE Clariant GmbH (DE) 2001-10-24 EP disclosed
WO-2000036054-A1 FERROELECTRIC ACTIVE MATRIX DISPLAYS WITH WIDE OPERATING TEMPERATURE RANGE CLARIANT GMBH (DE) 2000-06-22 WO disclosed
EP-0260077-B1 PHENYL PYRIMIDINE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION AJINOMOTO CO., INC. (JP) 1993-05-26 EP disclosed
EP-0244129-B1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION AJINOMOTO CO., INC. (JP) 1992-11-11 EP disclosed
US-4892676-A FERROELECTRIC, HIGH SPEED RESPONSE AJINOMOTO CO., INC. (JP) 1990-01-09 US disclosed
US-4880561-A Optically active compound and liquid crystalline composition AJINOMOTO CO., INC. (JP) 1989-11-14 US disclosed