SCHEMBL9520116

SCHEMBL9520116

C/C(C=O)=C(/C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 4/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
ESR1 P03372 1/20 0.43
PTGS2 P35354 2/20 0.41
DAO P14920 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
AKT1 P31749 1/20 0.38
CYP19A1 P11511 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL894842 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL15122603 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL11462823 0.81 ALDH1A1 (0.48) ALDH1A1TSHRESR1MEN1KMT2A
SCHEMBL11462824 0.81 ALDH1A1 (0.48) ALDH1A1TSHRESR1MEN1KMT2A
SCHEMBL7855650 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL2222239 0.81 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL27469663 0.79 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL12657759 0.77 ESR1 (0.51) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL1825340 0.77 ESR1 (0.51) ALDH1A1TDP1MAPK1TSHRCES2
SCHEMBL1825343 0.77 ESR1 (0.51) ALDH1A1TDP1MAPK1TSHRCES2

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
US-8338700-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-8338701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-20110030801-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-20110031446-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed
EP-0254578-B1 ANTIBIOTIC INTERMEDIATES ELI LILLY AND COMPANY (US) 1993-09-08 EP disclosed
US-4772694-A Chiral 3-(1,2,5-trisubstituted imidazolidinone) azetidinone antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 US disclosed