SCHEMBL11376972

SCHEMBL11376972

CC(C)(Cl)C1(C(N)=O)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL14136846 0.86 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNA
SCHEMBL1464652 0.86 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNA
SCHEMBL14136780 0.84 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL13223471 0.83 GAA (0.33) ALDH1A1SMN1; SMN2LMNA
SCHEMBL14136865 0.79 PKM (0.30)
SCHEMBL11379072 0.79 CYP2C19 (0.37) ALDH1A1SMN1; SMN2LMNA
SCHEMBL1090915 0.78 GAA (0.33)
SCHEMBL2405619 0.74 DGAT1 (0.45) ALDH1A1SMN1; SMN2LMNA
SCHEMBL17294363 0.73 KDM4E (0.35) ALDH1A1
SCHEMBL1091554 0.72 KDM4E (0.38) LMNA

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-4283420-A ANTICONVULSANTS, ANTIANAPHYLACTIC AGENTS, ANTIPSYCHOTIC AGENTS LABAZ (FR) 1981-08-11 US disclosed