SCHEMBL9055063

SCHEMBL9055063

Cc1ccc(C)c(C(O)C(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.40
KCNMA1 Q12791 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BRD4 O60885 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL8150583 0.87 CES2 (0.50) CES2CES1LMNAMEN1KMT2A
SCHEMBL959019 0.82 CES2 (0.57) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL9276316 0.81 CES2 (0.47) CES2CES1LMNAMEN1KMT2A
SCHEMBL7395691 0.80 LMNA (0.41) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7395695 0.80 LMNA (0.41) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17947802 0.77 CES2 (0.41) CES2CES1LMNANPSR1MEN1
SCHEMBL9969942 0.77 LMNA (0.41) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9055039 0.77 CES2 (0.50) CES2CES1LMNAMEN1KMT2A
SCHEMBL5999756 0.76 CES2 (0.53) CES2CES1LMNANPSR1MEN1
SCHEMBL66803 0.75 LMNA (0.74) CES2CES1LMNAMEN1KMT2A

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 4 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