SCHEMBL3688992

SCHEMBL3688992

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 10/20 0.40
THRB P10828 3/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10148847 0.87 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11503487 0.87 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL5708444 0.87 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19197808 0.87 TSHR (0.50) ALDH1A1TSHRTHRB
SCHEMBL2670062 0.86 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2353139 0.86 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29221164 0.86 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9329715 0.84 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL30013661 0.84 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18567195 0.83 ALDH1A1 (0.73) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-8329065-B2 Carbon nanotube-containing composition, composite, and methods for producing them MITSUBISHI RAYON CO., LTD. (JP) 2012-12-11 US disclosed
US-20100065788-A1 CARBON NANOTUBE-CONTAINING COMPOSITION, COMPOSITE, AND METHODS FOR PRODUCING THEM MITSUBISHI RAYON CO., LTD. (JP) 2010-03-18 US disclosed