SCHEMBL5399517

SCHEMBL5399517

COc1ccc(C=CC(=O)OC(C)CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
F3 P13726 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
BACE1 P56817 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50

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
SCHEMBL19244435 0.86 TDP1 (0.60) GSK3BLMNATDP1THRBATM
SCHEMBL14356145 0.86 TDP1 (0.60) GSK3BLMNATDP1THRBATM
SCHEMBL5941465 0.85 KMT2A (0.57) LMNATDP1F3SMN1; SMN2MEN1
SCHEMBL5941462 0.85 KMT2A (0.57) LMNATDP1F3SMN1; SMN2MEN1
SCHEMBL14612449 0.84 AKR1B1 (0.50) LMNATDP1THRBNPC1RAB9A
Propionic Acid SCHEMBL28056113 0.83 CA12 (0.60) GSK3BLMNATDP1THRBATM
SCHEMBL15838 0.82 CA12 (0.71) GSK3BLMNATDP1THRBATM
SCHEMBL342878 0.82 CA12 (0.71) GSK3BLMNATDP1THRBATM
Acetic Acid SCHEMBL28512748 0.81 CA12 (0.65) GSK3BLMNATDP1THRBATM
Water SCHEMBL8001684 0.81 CA12 (0.69) GSK3BLMNATDP1THRBATM

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
US-7173114-B2 Lightfast colorant and lightfast ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-02-06 US disclosed
US-7173114-B2 Lightfast colorant and lightfast ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-02-06 US disclosed
US-20040158050-A1 Lightfast colorant and lightfast ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-08-12 US disclosed