SCHEMBL9056471

SCHEMBL9056471

Cc1cc(C)cc(C(O)C(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.66
CES1 P23141 6/20 0.66
LMNA P02545 4/20 0.66
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TPMT P51580 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.40

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
SCHEMBL11587930 0.86 CES2 (0.67) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL9056792 0.85 CES2 (0.66) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL761053 0.84 CES2 (0.53) CES2CES1LMNAALDH1A1KDM4E
Benzoin SCHEMBL28085014 0.84 LMNA (0.64) CES2CES1LMNAALDH1A1KDM4E
Benzoin SCHEMBL28292944 0.83 CES2 (0.81) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL26114361 0.83 CES2 (0.68) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL66803 0.83 LMNA (0.74) CES2CES1LMNAALDH1A1KDM4E
Benzoin SCHEMBL28140114 0.81 CES2 (0.78) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL6518924 0.81 PGR (0.47) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL18428863 0.81 CES2 (0.59) CES2CES1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP claimed
EP-0564282-B1 Bis-dithiobenzilnickel complexes for use in near-infrared absorbing materials and benzoin derivatives as intermediates therefor JUJO PAPER CO LTD (JP) 1996-07-03 EP disclosed
US-5484689-A SUBSTRATE WITH OPTICAL RECORDING LAYER AND COLORLESSS DYE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-01-16 US disclosed
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP disclosed
US-4267173-A SAID HALOGENOCORTICOIDS BEING A 6B-FLUORO-7A-HALOGENO-1,4-PREGNADIENE SCHERING CORPORATION (US) 1981-05-12 US disclosed
EP-0001864-A1 Novel 6-oxygenated-3,20-dioxo-pregnane derivatives, process for the preparation thereof, and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-05-16 EP disclosed