SCHEMBL6551871

SCHEMBL6551871

C=CN(CC)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 1/20 0.49
AKT1 P31749 1/20 0.45
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
TSHR P16473 2/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7529780 0.85 ALDH1A1 (0.53) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL12650288 0.85 ALDH1A1 (0.53) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL8415306 0.82 AKT1 (0.47) ALDH1A1HPGDMAPTAKT1TSHR
SCHEMBL6551303 0.81 HSD11B1 (0.51) ALDH1A1AKT1TSHRL3MBTL1HDAC1
SCHEMBL12153864 0.80 ALDH1A1 (0.49) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL6551332 0.79 AKT1 (0.44) ALDH1A1HPGDMAPTAKT1TSHR
SCHEMBL8089365 0.77 HPGD (0.62) ALDH1A1HPGDMAPTTSHROPRM1
SCHEMBL2134534 0.76 AKT1 (0.48) ALDH1A1HPGDAKT1TSHRCES2
SCHEMBL11145077 0.76 ALDH1A1 (0.56) ALDH1A1HPGDMAPTPGRADRA2A
Benzoic Acid SCHEMBL28593579 0.76 TSHR (0.52) ALDH1A1HPGDMAPTAKT1PGR

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
EP-1048457-B1 Lithographic printing plate precursor FUJI PHOTO FILM CO LTD (JP) 2004-12-15 EP disclosed
EP-1312979-A2 Color photographic element containing speed-improving benzotriazole polymer EASTMAN KODAK COMPANY (US) 2003-05-21 EP disclosed
US-6455224-B1 SUPPORT WITH HYDROPHILIC SURFACE AND PHOTOSENSITIVE LAYER CONTAINING INFRARED ABSORBENT WHICH CHANGES FROM HYDROPHILIC TO HYDROPHOBIC BY HEAT AND HYDROPHILIC POLYMER HAVING FUNCTIONAL GROUP RENDERING LAYER WATER DEVELOPABLE FUJI PHOTO FILM CO., LTD. (JP) 2002-09-24 US disclosed
EP-1048457-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2000-11-02 EP disclosed
US-4348427-A Coating method and composition ANIC, S.P.A. (IT) 1982-09-07 US disclosed