SCHEMBL19390477

SCHEMBL19390477

CCC1O[C@@H](OCCOCCOCCN)C(NC(C)=O)C(OC(C)=O)[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LGALS3 P17931 3/20 0.34
▸ LGALS8 O00214 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ CXCL12 P48061 2/20 0.32
▸ CXCL10 P02778 1/20 0.32
▸ CXCL8 P10145 1/20 0.32
▸ CCL2 P13500 1/20 0.32
▸ CCL5 P13501 1/20 0.32

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
SCHEMBL19390475 1.00 CYP3A4 (0.42) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL26257060 1.00 CYP3A4 (0.42) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL10261606 1.00 CYP3A4 (0.42) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL19930017 0.92 CYP3A4 (0.47) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL19930031 0.90 CYP3A4 (0.51) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL18086648 0.90 CYP3A4 (0.51) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL29329389 0.90 CYP3A4 (0.51) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL27020203 0.89 MAPK1 (0.42) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL10262427 0.88 CYP3A4 (0.42) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL19769264 0.88 CYP3A4 (0.42) CYP3A4MAPTCYP2C9CYP2C19MAPK1

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
EP-2355658-B1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORP (CA) 2017-09-27 — — EP disclosed
Send feedback