SCHEMBL5160187

SCHEMBL5160187

CC(C)(C)Oc1c(C(=O)O)cccc1C(C)(C)C.[Fe]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
ALOX15 P16050 2/20 0.41
CA2 P00918 1/20 0.38
RBP4 P02753 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 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
SCHEMBL332092 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1022544 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL22722988 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL27638846 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL8340717 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1405888 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL2890499 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1023382 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL27926370 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
Ammonia Solution, Strong SCHEMBL27552798 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880080-B1 Toner for developing electrostatic images and image forming method CANON KK (JP) 2007-03-14 EP disclosed
US-5948584-A CROSSLINKED VINYL POLYMER-POLYESTER HYDRID RESIN, WAX, COLORANT CANON KABUSHIKI KAISHA (JP) 1999-09-07 US disclosed
EP-0880080-A1 Toner for developing electrostatic images and image forming method CANON KABUSHIKI KAISHA (JP) 1998-11-25 EP disclosed