SCHEMBL9999575

SCHEMBL9999575

Cc1c(CO)cc(-c2cc(CO)c(C)c(CO)c2)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.41
CD274 Q9NZQ7 3/20 0.41
PTGS1 P23219 1/20 0.38
SHBG P04278 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KLF10 Q13118 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
PDXK O00764 1/20 0.31

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
SCHEMBL6123894 0.82 ACHE (0.41) PDCD1CD274SHBGPDE4APDE4B
SCHEMBL17328717 0.80 ACHE (0.43) PDCD1CD274SHBGPDE4APDE4B
SCHEMBL62531 0.80 KDM4E (0.48) PDCD1CD274SHBGPDE4APDE4B
SCHEMBL18541219 0.79 SHBG (0.39) PDCD1CD274SHBGPDE4APDE4B
SCHEMBL15218262 0.78 PTGDR2 (0.36) PDCD1CD274SHBGPDE4APDE4B
SCHEMBL27491427 0.76 PDCD1 (0.52) PDCD1CD274PTGS1HPGDKDM4E
SCHEMBL10900603 0.75 ALDH1A1 (0.52) PDCD1CD274PTGS1HPGDALDH1A1
SCHEMBL16597203 0.74 FABP3 (0.38) PDCD1CD274PTGS1SHBGPDE4A
SCHEMBL5528882 0.74 CYP3A4 (0.50) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL21694420 0.73 KDM4E (0.38) SHBGPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028323-B2 Liquid crystal aligning agent containing crosslinking agent and polymer that has site having isocyanate group and/or blocked isocyanate group and site having photoreactivity, liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-06-08 US disclosed
US-10921650-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-02-16 US disclosed
US-20190023987-A1 LIQUID CRYSTAL ALIGNING AGENT CONTAINING CROSSLINKING AGENT AND POLYMER THAT HAS SITE HAVING ISOCYANATE GROUP AND/OR BLOCKED ISOCYANATE GROUP AND SITE HAVING PHOTOREACTIVITY, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-24 US disclosed
US-20190018289-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-17 US disclosed
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed