SCHEMBL22083641

SCHEMBL22083641

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
THRB P10828 2/20 0.39
CPA1 P15085 1/20 0.38
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 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
SCHEMBL3691878 0.92 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7573701 0.88 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7761817 0.88 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5059026 0.88 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7942704 0.86 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7760429 0.85 TSHR (0.48) TSHRSLC6A3CYP2C19
SCHEMBL11207048 0.83 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11207078 0.83 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6441778 0.82 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21112012 0.82 THRB (0.60) TSHRSMN1; SMN2THRBLMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020116782-A1 ADHESIVE RESIN AND ADHESIVE COMPOSITION COMPRISING SAME FOR OPTICAL MEMBER 주식회사 엘지화학 2020-06-11 WO disclosed