SCHEMBL8965918

SCHEMBL8965918

C=CC(=O)OCCC(C)(C)COC(=O)C=C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
THRB P10828 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
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
SCHEMBL8966168 0.90 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8966180 0.89 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL262028 0.86 ALDH1A1 (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20344268 0.85 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28323101 0.85 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18132825 0.85 ALDH1A1 (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18495622 0.85 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23062838 0.84 THRB (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL25121369 0.83 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL25121372 0.83 ALDH1A1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed