SCHEMBL4469892

SCHEMBL4469892

CCC(O)(CC)C(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
ALDH1A1 P00352 5/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GSK3B P49841 1/20 0.45
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
NLRP1 Q9C000 1/20 0.43

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
SCHEMBL6699980 0.86 CA2 (0.46) CA2ALDH1A1CES2CES1LMNA
SCHEMBL6692195 0.85 ALDH1A1 (0.44) CA2ALDH1A1LMNARAB9AMAPT
SCHEMBL10939967 0.85 CES2 (0.44) CA2CES2CES1RAB9A
SCHEMBL4468555 0.83 CA2 (0.55) CA2ALDH1A1CES2CES1LMNA
SCHEMBL4457079 0.82 ALDH1A1 (0.55) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL4556750 0.81 CES1 (0.50) ALDH1A1CES2CES1LMNANPC1
SCHEMBL14404948 0.79 CA2 (0.50) CA2ALDH1A1CES2CES1LMNA
SCHEMBL11816693 0.79 CA2 (0.50) CA2ALDH1A1CES2CES1LMNA
SCHEMBL10711391 0.79 ALDH1A1 (0.53) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL4456565 0.79 USP5 (0.47) ALDH1A1LMNANPC1RAB9AMAPT

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-1760102-B1 CATIONICALLY PHOTOPOLYMERIZABLE COMPOSITION AND OPTOELECTRONIC COMPONENT USING SAME THREE BOND CO LTD (JP) 2013-04-24 EP disclosed
EP-2065444-A1 PHOTOPOLYMERIZABLE COMPOSITION THREE BOND CO., LTD. (JP) 2009-06-03 EP disclosed
EP-1760102-A1 CATIONICALLY PHOTOPOLYMERIZABLE COMPOSITION AND OPTOELECTRONIC COMPONENT USING SAME THREE BOND CO., LTD. (JP) 2007-03-07 EP disclosed