SCHEMBL9056162

SCHEMBL9056162

Cc1ccc(C(O)C(=O)c2ccccc2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.61
CES1 P23141 5/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.42
FKBP5 Q13451 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.40
ADRB2 P07550 1/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL30185557 0.86 CES2 (0.54) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL18813636 0.83 CES2 (0.53) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL9057035 0.83 CES2 (0.61) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL18428863 0.81 CES2 (0.59) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL66803 0.80 LMNA (0.74) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL11475491 0.80 BLM (0.51) CES2CES1LMNATDP1SMN1; SMN2
SCHEMBL11437729 0.80 BLM (0.51) CES2CES1LMNATDP1SMN1; SMN2
SCHEMBL11587930 0.79 CES2 (0.67) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL9056471 0.79 CES2 (0.66) CES2CES1LMNAALDH1A1KDM4E
Benzoin SCHEMBL28866446 0.78 LMNA (0.64) 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 5 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-4344954-A DIURETICS AMERICAN CYANAMID COMPANY (US) 1982-08-17 US disclosed