SCHEMBL11288232

SCHEMBL11288232

CCCCOc1ccc(OCCCC2(OC(=O)OCC)CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
ABCB11 O95342 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
PLA2G4B P0C869 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
SCHEMBL11205684 0.92 LMNA (0.45) MAPK1ABCB11LMNAMAPTSMN1; SMN2
SCHEMBL7429435 0.91 TDP1 (0.49) MAPK1ABCB11LMNAMAPTSMN1; SMN2
SCHEMBL7433095 0.90 LMNA (0.53) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL11280956 0.88 LMNA (0.51) MAPK1ABCB11LMNAMAPTSMN1; SMN2
SCHEMBL7438468 0.87 MAPT (0.50) MAPK1ABCB11LMNAMAPTSMN1; SMN2
SCHEMBL7438766 0.87 MAPT (0.54) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL6550151 0.87 GAA (0.56) MAPK1ABCB11LMNAMAPTTP53
SCHEMBL6262433 0.87 MAPT (0.68) MAPK1ABCB11LMNAMAPTMEN1
SCHEMBL7432301 0.87 LMNA (0.53) MAPK1ABCB11LMNAMAPTSMN1; SMN2
SCHEMBL6264573 0.87 LMNA (0.53) MAPK1ABCB11LMNAMAPTSMN1; SMN2

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
WO-1982000643-A1 SUBSTITUTED OXIRANECARBONIC ACIDS,PREPARATION AND PHARMACEUTICAL UTILISATION THEREOF BYK GULDEN LOMBERG CHEM FAB (DE) 1982-03-04 WO disclosed