SCHEMBL10697772

SCHEMBL10697772

CCOc1cc(OCC)cc(OCOc2ccccc2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 6/20 0.51
PTK2B Q14289 1/20 0.51
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 2/20 0.50
HCRTR1 O43613 2/20 0.48
MEN1 O00255 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
TSHR P16473 1/20 0.46
GGT1 P19440 1/20 0.46

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
SCHEMBL10421201 0.88 ALDH1A1 (0.54) ALDH1A1KMT2APTK2BKDM4EL3MBTL1
SCHEMBL10420806 0.85 ALDH1A1 (0.51) ALDH1A1KMT2APTK2BLMNAMAPT
SCHEMBL10422127 0.85 ALDH1A1 (0.54) ALDH1A1KMT2APTK2BKDM4EHTT
Benzene SCHEMBL27314454 0.84 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BLMNAMAPT
SCHEMBL124831 0.84 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BLMNAMAPT
SCHEMBL633198 0.83 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BLMNAMAPT
SCHEMBL29444034 0.83 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BLMNAMAPT
SCHEMBL10422124 0.83 ALDH1A1 (0.49) ALDH1A1KMT2APTK2BLMNAKDM4E
Hydrochloric Acid SCHEMBL3529351 0.82 ALDH1A1 (0.62) ALDH1A1KMT2APTK2BLMNAMAPT
Bicarbonate SCHEMBL237486 0.82 ALDH1A1 (0.62) ALDH1A1KMT2APTK2BLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253666-A2 Heat-sensitive recording material containing dye-forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-01-20 EP disclosed