SCHEMBL4457079

SCHEMBL4457079

CCc1ccc(C(=O)C(O)(CC)CC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
PLK1 P53350 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 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
SCHEMBL4454880 0.85 PLK1 (0.53) ALDH1A1PLK1TDP1POLBKMT2A
SCHEMBL28046701 0.85 LOXL2 (0.50) ALDH1A1PLK1SMN1; SMN2KMT2A
SCHEMBL4457411 0.84 ALDH1A1 (0.55) ALDH1A1PLK1SMN1; SMN2TDP1HPGD
SCHEMBL10939967 0.83 CES2 (0.44) RAB9A
SCHEMBL6692195 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKMT2ARAB9AMAPT
SCHEMBL4469892 0.82 CA2 (0.55) ALDH1A1SMN1; SMN2TDP1HPGDMEN1
SCHEMBL3971183 0.82 ALDH1A1 (0.57) ALDH1A1PLK1SMN1; SMN2TDP1HPGD
SCHEMBL1628100 0.79 ALDH1A1 (0.59) ALDH1A1PLK1SMN1; SMN2TDP1HPGD
SCHEMBL4556750 0.79 CES1 (0.50) ALDH1A1SMN1; SMN2TDP1HPGDMEN1
SCHEMBL10941607 0.78 ALDH1A1 (0.48) ALDH1A1PLK1SMN1; SMN2TDP1HPGD

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