SCHEMBL8054562

SCHEMBL8054562

COc1cccc2[nH]c(C(=O)O)c(C)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 5/20 0.61
MAPT P10636 3/20 0.61
GAA P10253 3/20 0.61
MCL1 Q07820 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HSD17B10 Q99714 3/20 0.52
EDNRA P25101 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL7778483 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAAMCL1
SCHEMBL24189144 0.83 KDM4E (0.53) ALDH1A1KDM4EMAPTGAAMCL1
SCHEMBL7427808 0.80 EDNRA (0.56) MAPTGAAMCL1MEN1KMT2A
SCHEMBL15516976 0.80 MCL1 (0.44) ALDH1A1KDM4EMAPTGAAMCL1
SCHEMBL19330952 0.79 MEN1 (0.48) ALDH1A1KDM4EMAPTGAAMCL1
SCHEMBL7535729 0.78 GPR17 (0.58) ALDH1A1KDM4EMAPTGAAMCL1
SCHEMBL6226341 0.77 ABCG2 (0.46) ALDH1A1KDM4EMAPTGAAMCL1
SCHEMBL7506817 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAAMCL1
SCHEMBL8762464 0.76 KDM4E (0.56) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL701263 0.76 KDM4E (1.00) ALDH1A1KDM4EMAPTGAAMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6027844-A SINGLE LAYER POSITIVE ORGANIC PHOTOCONDUCTOR COMPRISING A COMPOSITE COMPRISING AT LEAST ONE PHOTOCONDUCTIVE PHTHALOCYANINE PIGMENT HAVING A PARTICLE SIZE LESS THAN ABOUT 1 MUM UNIFORMLY DISPERSED IN A POLYMERIC BINDER HEWLETT-PACKARD COMPANY (US) 2000-02-22 US claimed
US-6027844-A SINGLE LAYER POSITIVE ORGANIC PHOTOCONDUCTOR COMPRISING A COMPOSITE COMPRISING AT LEAST ONE PHOTOCONDUCTIVE PHTHALOCYANINE PIGMENT HAVING A PARTICLE SIZE LESS THAN ABOUT 1 MUM UNIFORMLY DISPERSED IN A POLYMERIC BINDER HEWLETT-PACKARD COMPANY (US) 2000-02-22 US disclosed