SCHEMBL1755538

SCHEMBL1755538

C=CC(=O)OCC(=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.57
HPGD P15428 1/20 0.45
ALDH1A1 P00352 6/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 3/20 0.38
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.30

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
SCHEMBL1755515 0.83 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6518757 0.82 HCAR2 (0.41) TSHRHPGDALDH1A1SMN1; SMN2THRB
SCHEMBL10024375 0.82 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28343371 0.79 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10024395 0.77 GSTP1 (0.36) TSHRALDH1A1MAPK1LMNA
SCHEMBL21091060 0.75 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10024381 0.75 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL272054 0.75
SCHEMBL15455067 0.75 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27820832 0.75

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-2441809-A1 ANTIFOULING COATING COMPOSITION, ANTIFOULING COATING FILM FORMED FROM THE COMPOSITION, COATED OBJECT HAVING THE COATING FILM ON SURFACE, AND METHOD OF ANTIFOULING TREATMENT BY FORMING THE COATING FILM Nitto Kasei Co., Ltd. (JP) 2012-04-18 EP disclosed
US-20120010342-A1 ANTIFOULING COATING COMPOSITION, ANTIFOULING COATING FILM FORMED BY USE OF THE COMPOSITION, COATED OBJECT HAVING THE COATING FILM THEREON, AND METHOD OF ANTIFOULING TREATMENT BY FORMING THE COATING FILM NITTO KASEI CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010342-A1 ANTIFOULING COATING COMPOSITION, ANTIFOULING COATING FILM FORMED BY USE OF THE COMPOSITION, COATED OBJECT HAVING THE COATING FILM THEREON, AND METHOD OF ANTIFOULING TREATMENT BY FORMING THE COATING FILM NITTO KASEI CO., LTD. (JP) 2012-01-12 US disclosed