SCHEMBL11399285

SCHEMBL11399285

CCC(=O)OC(C)C(=O)CCl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL11384052 0.83 ALDH1A1 (0.43) FAAHLMNAALDH1A1
SCHEMBL11386368 0.78 ALDH1A1 (0.38) FAAHMEN1CYP2C19RECQLKMT2A
SCHEMBL27621396 0.77 MEN1 (0.36) FAAHMEN1CYP2C19RECQLKMT2A
SCHEMBL11401129 0.77 TSHR (0.46) FAAHMEN1KMT2ALMNA
SCHEMBL17011231 0.77 MEN1 (0.33) MEN1CYP2C19RECQLKMT2ALMNA
SCHEMBL29206695 0.76 LMNA (0.42) FAAHLMNA
SCHEMBL5269325 0.76 LMNA (0.42) FAAHLMNA
SCHEMBL28617313 0.76 LMNA (0.42) FAAHLMNA
SCHEMBL10087852 0.75 LMNA (0.33) MEN1CYP2C19RECQLKMT2ALMNA
SCHEMBL8830592 0.75 MEN1 (0.37) MEN1CYP2C19RECQLKMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4258040-A Cephalosporin compounds MERCK & CO., INC. (US) 1981-03-24 US disclosed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 US disclosed