SCHEMBL28806469

SCHEMBL28806469

O=C(OCC1CO1)c1ccc(I)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
MGLL Q99685 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.41
DHFR P00374 1/20 0.40

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
SCHEMBL22357194 0.91 MGLL (0.47) MGLLMEN1CYP1A2CYP2C19KMT2A
SCHEMBL38933 0.91 MGLL (0.47) MGLLMEN1CYP1A2CYP2C19KMT2A
Water SCHEMBL28237529 0.90 MGLL (0.46) MGLLMEN1CYP1A2CYP2C19KMT2A
SCHEMBL27538597 0.90 MGLL (0.46) MGLLMEN1CYP1A2CYP2C19KMT2A
SCHEMBL17345257 0.86 MGLL (0.51) MGLLMEN1CYP1A2CYP2C19KMT2A
SCHEMBL28172328 0.86 MGLL (0.44) MGLLMEN1CYP1A2CYP2C19KMT2A
SCHEMBL22357181 0.86 MGLL (0.51) MGLLMEN1CYP1A2CYP2C19KMT2A
SCHEMBL1144179 0.85 MGLL (0.47) MGLLMEN1CYP1A2CYP2C19KMT2A
SCHEMBL4305974 0.85 ESR1 (0.53) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL8847028 0.83 LMNA (0.56) PTPN2PTPN1MGLLKMT2ALMNA

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
CN-103204829-A Preparation method of organic acid glycidyl ester UNIV DALIAN TECH 2013-07-17 CN disclosed