SCHEMBL7043476

SCHEMBL7043476

CC(OC(=O)CCCCC(C)C(=O)OC(C)OC(=O)OC1CCCCC1)OC(=O)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
Hydrochloric Acid SCHEMBL6880169 0.99 NAAA (0.44) NAAASMN1; SMN2CYP19A1HTTEPHX1
SCHEMBL231985 0.90 NAAA (0.45) NAAASMN1; SMN2CYP19A1HTTEPHX1
SCHEMBL13662184 0.82 NAAA (0.46) NAAASMN1; SMN2CYP19A1HTTEPHX1
SCHEMBL6878693 0.80 NAAA (0.39) NAAASMN1; SMN2CYP19A1EPHX1LMNA
SCHEMBL20207259 0.80 NAAA (0.49) NAAACYP19A1HTTEPHX1CYP2C19
SCHEMBL12744578 0.79 NAAA (0.41) NAAASMN1; SMN2CYP19A1HTTEPHX1
SCHEMBL13647263 0.76 CYP19A1 (0.41) NAAASMN1; SMN2CYP19A1HTTEPHX1
Hydrochloric Acid SCHEMBL6873846 0.76 LMNA (0.39) SMN1; SMN2LMNA
SCHEMBL14504409 0.76 MMP1 (0.41) NAAASMN1; SMN2CYP19A1HTTEPHX1
SCHEMBL28499766 0.75 NAAA (0.42) NAAACYP19A1HTTEPHX1CYP2C19

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
EP-1463713-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-10-06 EP disclosed
WO-2003045898-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-06-05 WO disclosed