SCHEMBL21753759

SCHEMBL21753759

C=CC(=O)OCCC(CCC)CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 3/20 0.41
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 4/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL20996773 0.88 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1355588 0.85 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4373216 0.85 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL41831 0.82 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23493924 0.80 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1899131 0.80 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7949427 0.79 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.79 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.79 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31742397 0.78 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020039895-A1 POLARIZER, POLARIZING FILM, OPTICAL FILM AND IMAGE DISPLAY DEVICE 日東電工株式会社 2020-02-27 WO disclosed
WO-2020039894-A1 POLARIZER, POLARIZING FILM, OPTICAL FILM AND IMAGE DISPLAY DEVICE 日東電工株式会社 2020-02-27 WO disclosed
WO-2020039899-A1 POLARIZER, POLARIZING FILM, OPTICAL FILM AND IMAGE DISPLAY DEVICE 日東電工株式会社 2020-02-27 WO disclosed
WO-2020039896-A1 POLARIZER, POLARIZING FILM, OPTICAL FILM AND IMAGE DISPLAY DEVICE 日東電工株式会社 2020-02-27 WO disclosed