SCHEMBL8398909

SCHEMBL8398909

COc1ccc(CC(CCCOB(O)OP(C)(C)(C)C)(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
CALM1 P0DP23 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
CASR P41180 2/20 0.33
LTA4H P09960 1/20 0.33
IDO1 P14902 3/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ENPP2 Q13822 1/20 0.32
PPARA Q07869 1/20 0.32
IGF1R P08069 1/20 0.31
NR3C1 P04150 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8397566 0.88 CASR (0.34) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL8398875 0.88 SAE1 (0.33) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL8400048 0.84 LTA4H (0.38) TP53CASRLTA4H
SCHEMBL5712235 0.84 CALM1 (0.39) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
Ammonia Solution, Strong SCHEMBL8625093 0.82 CALM1 (0.38) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
Methane SCHEMBL8629257 0.81 CALM1 (0.37) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
Ethane SCHEMBL8627387 0.81 CALM1 (0.37) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
Tetramethylammonium Ion SCHEMBL2849792 0.80 CALM1 (0.36) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
Tetrylammonium SCHEMBL5916203 0.77 CASR (0.36) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL8629639 0.77 LDHA (0.39) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4

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-0613058-B1 Light-decolorizable recording material SHOWA DENKO KK (JP) 1999-06-02 EP disclosed
US-5846682-A Light decolorizable recording material, ink and toner SHOWA DENKO K.K. (JP) 1998-12-08 US disclosed
EP-0613058-A1 Light-decolorizable recording material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-08-31 EP disclosed