SCHEMBL4454880

SCHEMBL4454880

CCCc1ccc(C(=O)C(O)(CC)CC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.53
THRB P10828 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 3/20 0.47
CTDSP1 Q9GZU7 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
RARB P10826 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL4457109 0.85 PLK1 (0.53) PLK1THRBL3MBTL1POLBCTDSP1
SCHEMBL4457079 0.85 ALDH1A1 (0.55) PLK1POLBALDH1A1GAANPC1
SCHEMBL1060928 0.83 PLK1 (0.55) PLK1THRBL3MBTL1POLBCTDSP1
SCHEMBL28046701 0.81 LOXL2 (0.50) PLK1ALDH1A1KDM4EKMT2A
SCHEMBL13543227 0.81 PLK1 (0.56) PLK1THRBL3MBTL1POLBCTDSP1
SCHEMBL10939967 0.80 CES2 (0.44) RAB9A
SCHEMBL6692195 0.80 ALDH1A1 (0.44) ALDH1A1RAB9AKMT2AMAPTESR1
SCHEMBL9560910 0.79 MLYCD (0.57) PLK1THRBL3MBTL1POLBCTDSP1
SCHEMBL10710059 0.79 THRA (0.54) THRBALDH1A1KMT2AMAPTRARB
SCHEMBL4469892 0.79 CA2 (0.55) ALDH1A1GAANPC1RAB9AKMT2A

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