SCHEMBL9056792

SCHEMBL9056792

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 5/20 0.66
▸ CES1 P23141 4/20 0.66
▸ LMNA P02545 3/20 0.66
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPK1 P28482 1/20 0.50
▸ TPMT P51580 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41

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
SCHEMBL29698773 0.89 LMNA (0.56) CES2CES1LMNAKDM4EALDH1A1
SCHEMBL11587933 0.86 CES2 (0.67) CES2CES1LMNAKDM4EALDH1A1
SCHEMBL9056471 0.85 CES2 (0.66) CES2CES1LMNAKDM4EALDH1A1
SCHEMBL761053 0.84 CES2 (0.53) CES2CES1LMNAKDM4EALDH1A1
Benzoin SCHEMBL28085014 0.84 LMNA (0.64) CES2CES1LMNAKDM4EALDH1A1
Benzoin SCHEMBL28292944 0.83 CES2 (0.81) CES2CES1LMNAKDM4EALDH1A1
SCHEMBL66647 0.83 LMNA (0.74) CES2CES1LMNAKDM4EALDH1A1
SCHEMBL26114364 0.81 CES2 (0.66) CES2CES1LMNAKDM4EALDH1A1
Benzoin SCHEMBL28140114 0.81 CES2 (0.78) CES2CES1LMNAKDM4EALDH1A1
SCHEMBL18428864 0.81 CES2 (0.59) CES2CES1LMNAKDM4EALDH1A1

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
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