SCHEMBL11115250

SCHEMBL11115250

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
FAAH O00519 7/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MAPT P10636 4/20 0.42
USP2 O75604 3/20 0.42
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MGLL Q99685 2/20 0.38
ABCC4 O15439 1/20 0.37
RECQL P46063 1/20 0.36
CYP2C9 P11712 1/20 0.35
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL7867821 0.98 ALDH1A1 (0.51) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL7867823 0.90 ALDH1A1 (0.47) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL1941075 0.88 ALDH1A1 (0.43) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL26247915 0.85 ALDH1A1 (0.45) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL31432872 0.81 MAPT (0.46) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL25698859 0.81 ALDH1A1 (0.45) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL23967339 0.81 MAPT (0.59) ALDH1A1LMNAFAAHMAPTUSP2
SCHEMBL31591585 0.81 LMNA (0.54) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL29572948 0.81 ALDH1A1 (0.41) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL30559915 0.81 ALDH1A1 (0.41) ALDH1A1LMNAFAAHCNR1CNR2

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-4428887-A Method of producing mono-substituted terminal diesters MONSANTO COMPANY (US) 1984-01-31 US disclosed