SCHEMBL19525468

SCHEMBL19525468

CO[C@H]1CN(CC(=O)OCc2ccccc2)C[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ FKBP1A P62942 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
SCHEMBL19934909 0.90 FUCA1 (0.55) FUCA1ALDH1A1MAPK1L3MBTL1CYP1A2
SCHEMBL2621352 0.81 SMN1; SMN2 (0.49) FUCA1HPGDCHRM4CYP2C19SMN1; SMN2
SCHEMBL19966271 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL25063684 0.76 HTT (0.42) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL29304905 0.76 LGALS8 (0.42) ALDH1A1MAPK1L3MBTL1LGALS8CYP1A2
SCHEMBL19557165 0.76 LTA4H (0.46) ALDH1A1MAPK1L3MBTL1HPGDCHRM2
SCHEMBL23054258 0.75 S1PR5 (0.57) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL15447240 0.75 POLB (0.51) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL15447242 0.75 POLB (0.51) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL10859364 0.74 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9

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-3238738-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS Arbutus Biopharma Corporation (CA) 2017-11-01 — — EP disclosed
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