SCHEMBL8776473

SCHEMBL8776473

C=C(C)C(=O)OCC(CC)CCCC.C=C(CC=C(C)C(=O)O)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
CYP3A4 P08684 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 6/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
CA2 P00918 2/20 0.38
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CA1 P00915 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ZDHHC7 Q9NXF8 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
SCHEMBL7996150 0.91 TSHR (0.51) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL8677850 0.90 ALDH1A1 (0.42) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL9507133 0.89 TSHR (0.62) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL28242418 0.86 TSHR (0.52) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL29752810 0.85 TSHR (0.50) TSHRCYP3A4TDP1ATMALDH1A1
Methacrylic Acid SCHEMBL5027661 0.84 TSHR (0.51) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL15529137 0.84 TSHR (0.47) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL9853357 0.83 TSHR (0.55) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL8962379 0.83 TSHR (0.48) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL2768927 0.82 TSHR (0.47) TSHRTDP1ATMALDH1A1

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
EP-0503076-B1 PHOTOPOLYMERIZABLE COMPOSITION AND PHOTOPOLYMERIZABLE ELEMENT HITACHI CHEMICAL CO LTD (JP) 1997-12-03 EP disclosed
US-5334484-A Using an acridine compound as photoinitiator HITACHI CHEMICAL CO., LTD. (JP) 1994-08-02 US disclosed
EP-0503076-A1 PHOTOPOLYMERIZABLE COMPOSITION AND PHOTOPOLYMERIZABLE ELEMENT HITACHI CHEMICAL CO., LTD. (JP) 1992-09-16 EP disclosed