SCHEMBL8919294

SCHEMBL8919294

CCCOC(=O)OC(O[C]=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
GAA P10253 1/20 0.38
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL8698025 0.80 LMNA (0.37) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL1838079 0.77 LMNA (0.50) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL1129750 0.77 CYP3A4 (0.49) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5513814 0.76 LTA4H (0.39) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1835893 0.76 LMNA (0.49) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL31112984 0.76 LMNA (0.49) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL1837124 0.75 LMNA (0.47) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL9789773 0.75 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2GAACYP3A4
SCHEMBL2502300 0.74 NPC1 (0.43) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1838269 0.72 LMNA (0.45) LMNAALDH1A1SMN1; SMN2CYP3A4NPC1

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-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed