SCHEMBL8864321

SCHEMBL8864321

CCCCCCOC[C@H]1O[C@H](OCCCCCC)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF2R P11717 4/20 0.56
GJB2 P29033 5/20 0.54
MAPK1 P28482 1/20 0.49
GBA1 P04062 2/20 0.49
TLR4 O00206 1/20 0.45
LGALS8 O00214 1/20 0.45
LGALS3 P17931 1/20 0.45
LGALS4 P56470 1/20 0.45
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5145571 1.00 IGF2R (0.56) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL8864499 1.00 IGF2R (0.56) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL8691787 0.98 IGF2R (0.55) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL8686568 0.98 IGF2R (0.55) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL8687950 0.98 IGF2R (0.55) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL672020 0.93 IGF2R (0.52) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL28155326 0.93 GJB2 (0.50) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL9287099 0.91 GJB2 (0.48) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL9289614 0.91 GJB2 (0.48) IGF2RGJB2MAPK1GBA1TLR4
SCHEMBL7560314 0.91 CETP (0.48) IGF2RGJB2MAPK1

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-5688929-A DETERGENTS, COSMETICS AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 1997-11-18 US disclosed