SCHEMBL8902178

SCHEMBL8902178

C=CC(=O)OCCC(C)CO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 2/20 0.42
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ATM Q13315 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
SCHEMBL9103359 0.90 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19845013 0.87 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7740688 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5078976 0.85 TSHR (0.62) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1398258 0.85 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9328527 0.84 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23493924 0.83 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12266939 0.83 ALOX15 (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12198799 0.83 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1899131 0.83 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4

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-5639546-A CURED LAYER OF A CROSSLINKED POLYMER MATRIX AND DISPERSED COLLOIDAL METAL OXIDE PARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-17 US disclosed
EP-0475592-A2 Coated article having improved adhesion to organic coatings MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-03-18 EP disclosed