SCHEMBL8965695

SCHEMBL8965695

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.64
ALDH1A1 P00352 5/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 3/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.45
THRB P10828 2/20 0.37
LMNA P02545 2/20 0.30
HTT P42858 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 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
SCHEMBL904524 0.91 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4282346 0.91 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11207915 0.91 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13997350 0.91 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14005956 0.91 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28457211 0.89 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12019523 0.89 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL25361572 0.87 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1375020 0.87 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8902181 0.87 TSHR (0.67) 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