SCHEMBL4638602

SCHEMBL4638602

C/C(=C\CCc1cccc(O)c1O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IAPP P10997 5/20 0.57
TBXAS1 P24557 1/20 0.41
BACE1 P56817 1/20 0.41
BID P55957 2/20 0.38
BCL2L1 Q07817 2/20 0.38
MCL1 Q07820 2/20 0.38
BAK1 Q16611 2/20 0.38
MMP2 P08253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F7 P08709 1/20 0.38
MAPT P10636 1/20 0.38
F3 P13726 1/20 0.38
ALOX15 P16050 1/20 0.38
ECE1 P42892 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MUS81 Q96NY9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38

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
SCHEMBL1137147 0.87 AKR1B1 (0.47) IAPPTBXAS1BACE1
SCHEMBL1060627 0.87 AKR1B1 (0.47) IAPPTBXAS1BACE1
SCHEMBL8744996 0.84 IAPP (0.51) IAPPBACE1
SCHEMBL678767 0.78 CTBP2 (0.45) TBXAS1KDM4E
SCHEMBL19656187 0.78 GPR52 (0.55) TBXAS1BACE1MAPT
SCHEMBL12003261 0.78 CTBP2 (0.45) TBXAS1KDM4E
SCHEMBL3681656 0.77 TDP1 (0.50) MCL1KDM4E
SCHEMBL1920921 0.76 CTBP2 (0.44)
SCHEMBL440569 0.76 CTBP2 (0.44)
Acetic Acid SCHEMBL28002759 0.75 IAPP (0.66) IAPPBIDBCL2L1MCL1BAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541644-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2008-07-02 EP disclosed
EP-1541644-A1 Ink composition and inkjet recording method FUJI PHOTO FILM CO., LTD. (JP) 2005-06-15 EP disclosed