SCHEMBL10168232

SCHEMBL10168232

C=CC(=O)OCC(C)COC(=O)CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.55
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 2/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP12 P39900 2/20 0.31

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
SCHEMBL28655095 0.93 TSHR (0.62) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL28029409 0.90 TSHR (0.51) TSHRHPGDMAPTALDH1A1CYP3A4
SCHEMBL27865301 0.86 EGLN1 (0.45) TSHRMAPTALDH1A1CYP3A4KDM6B
SCHEMBL19845038 0.84 TSHR (0.45) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL19845035 0.84 TSHR (0.47) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL8965855 0.84 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
Succinic Acid SCHEMBL28756647 0.82 TSHR (0.62) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL19845084 0.82 TSHR (0.49) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL19845081 0.82 TSHR (0.49) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL1071857 0.82 TSHR (0.49) TSHRHPGDMAPTALDH1A1TP53

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-20180037819-A1 OPTICAL ISOMER SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2018-02-08 US disclosed
US-8529803-B2 Curable coloring composition, color filter and method for producing same, and quinophthalone dye FUJIFILM CORPORATION (JP) 2013-09-10 US disclosed
US-20120112142-A1 CURABLE COLORING COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING SAME, AND QUINOPHTHALONE DYE FUJIFILM CORPORATION (JP) 2012-05-10 US disclosed