SCHEMBL28290465

SCHEMBL28290465

CC(=O)OC(=O)c1ccccc1C(=O)OCCO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TSHR P16473 7/20 0.56
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 3/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.51
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL27465015 0.90 TSHR (0.60) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3219892 0.89 TSHR (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL36533 0.87 ALDH1A1 (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27777690 0.86 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL18411634 0.86 ALDH1A1 (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28290501 0.86 TSHR (0.55) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL30749815 0.85 ALDH1A1 (0.64) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3972957 0.84 ALDH1A1 (0.51) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27928279 0.83 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL30084385 0.83 TSHR (0.52) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563176-A Cellulose acetate phthalate ether 陶氏环球技术有限责任公司 2019-04-02 CN disclosed