SCHEMBL10024375

SCHEMBL10024375

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.52
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 3/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL1755538 0.82 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10024397 0.79 HCAR2 (0.34) ALDH1A1MAPK1
SCHEMBL1755515 0.78 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10033520 0.77 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14582994 0.77 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22009731 0.76 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10024376 0.74 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14582992 0.74 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17131774 0.74 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12922583 0.74 TSHR (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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