SCHEMBL4457411

SCHEMBL4457411

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
PLK1 P53350 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
ABCB1 P08183 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL21208588 0.86 EPHX2 (0.46) ALDH1A1PLK1SMN1; SMN2HPGD
SCHEMBL3971183 0.86 ALDH1A1 (0.57) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL4457109 0.85 PLK1 (0.53) ALDH1A1PLK1TDP1NPC1RAB9A
SCHEMBL4457079 0.84 ALDH1A1 (0.55) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL1628100 0.83 ALDH1A1 (0.59) ALDH1A1PLK1SMN1; SMN2HPGDTDP1
SCHEMBL28584026 0.83 CYP4A11 (0.47) PLK1TDP1
SCHEMBL4083719 0.83 KMT2A (0.47) ALDH1A1PLK1LMNA
SCHEMBL10458156 0.82 RARB (0.56) ALDH1A1PLK1HPGDNPC1RAB9A
SCHEMBL4468555 0.82 CA2 (0.55) ALDH1A1SMN1; SMN2HPGDTDP1NPC1
SCHEMBL6687329 0.82 ALDH1A1 (0.57) ALDH1A1PLK1SMN1; SMN2HPGDTDP1

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