SCHEMBL8940710

SCHEMBL8940710

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
TSHR P16473 5/20 0.39
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL28097079 0.91 THRB (0.51) THRBTSHRCYP3A4ALDH1A1TP53
SCHEMBL2701652 0.90 THRB (0.46) THRBTSHRCYP3A4ALDH1A1TP53
SCHEMBL1637662 0.90 THRB (0.46) THRBTSHRCYP3A4ALDH1A1TP53
Propene SCHEMBL28137471 0.88 THRB (0.45) THRBTSHRCYP3A4ALDH1A1TP53
Butadiene SCHEMBL9316374 0.88 THRB (0.45) THRBTSHRCYP3A4ALDH1A1TP53
SCHEMBL28149678 0.88 THRB (0.48) THRBTSHRCYP3A4ALDH1A1TP53
SCHEMBL23636 0.88 THRB (0.48) THRBTSHRCYP3A4ALDH1A1TP53
SCHEMBL15303703 0.87 THRB (0.40) THRBTSHRCYP3A4ALDH1A1TP53
SCHEMBL10391726 0.86 THRB (0.47) THRBTSHRCYP3A4ALDH1A1TP53
SCHEMBL5884750 0.86 THRB (0.47) THRBTSHRCYP3A4ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716669-A1 LOW DENSITY POROUS CROSSLINKED POLYMERIC MATERIALS SHELL OIL CO (US) 1996-06-19 EP claimed
WO-1995006681-A1 LOW DENSITY POROUS CROSSLINKED POLYMERIC MATERIALS SHELL OIL COMPANY (US) 1995-03-09 WO claimed
US-5340842-A An addition copolymer consisting of at least one saccharide fatty acid ester as cell control foaming agent; stability, high adsorption; adsorbers/materials/, diapers, wipes SHELL OIL COMPANY (US) 1994-08-23 US claimed