SCHEMBL9317409

SCHEMBL9317409

C=CC(=O)OCCCCCCS(=O)(=O)c1ccc(/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
PTGS1 P23219 1/20 0.40
HSD17B3 P37058 1/20 0.38
APP P05067 3/20 0.37
HPGD P15428 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HDAC1 Q13547 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4A O75164 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
RELA Q04206 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9317414 1.00 TSHR (0.42) TSHRALDH1A1CYP3A4PTGS1HSD17B3
SCHEMBL9318859 0.88 NPC1 (0.43) TSHRALDH1A1CYP3A4PTGS1HPGD
SCHEMBL9318866 0.88 NPC1 (0.43) TSHRALDH1A1CYP3A4PTGS1HPGD
SCHEMBL9317154 0.86 POLB (0.40) TSHRALDH1A1PTGS1HSD17B3APP
SCHEMBL9317157 0.86 POLB (0.40) TSHRALDH1A1PTGS1HSD17B3APP
SCHEMBL9317886 0.85 MMP13 (0.47) TSHRALDH1A1CYP3A4HPGDHDAC1
SCHEMBL9317883 0.85 MMP13 (0.47) TSHRALDH1A1CYP3A4HPGDHDAC1
SCHEMBL9318829 0.85 TSHR (0.35) TSHRALDH1A1CYP3A4APPHPGD
SCHEMBL9318819 0.85 TSHR (0.35) TSHRALDH1A1CYP3A4APPHPGD
SCHEMBL9317336 0.84 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4APPHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5322986-A Methods for preparing polymer stripe waveguides and polymer stripe waveguides prepared thereby EASTMAN KODAK COMPANY (US) 1994-06-21 US disclosed
US-5157541-A Support with dielectric, reflection metal, polymeric electrooptical layers, couterelectrode EASTMAN KODAK COMPANY (US) 1992-10-20 US disclosed
US-5075796-A OPTICAL ARTICLE FOR MULTICOLOR IMAGING EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed
US-4948225-A REFLECTIVE METAL LAYER, DIELECTRICS, PROTECTIVE COATING EASTMAN KODAK COMPANY (US) 1990-08-14 US disclosed