SCHEMBL11033504

SCHEMBL11033504

CCCCCC1C(OC(=O)OC)=C(C)NC2=C1C(=O)CN(C)C2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 7/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DNTT P04053 1/20 0.30

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
SCHEMBL11313635 0.84 FFAR3 (0.46) FFAR3KDM4EALDH1A1GAAHPGD
SCHEMBL8611028 0.65 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL7845674 0.62 FFAR3 (0.64) FFAR3KDM4EALDH1A1HPGD
SCHEMBL7148358 0.61 ALDH1A1 (0.58) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5816251 0.60 KDM4E (0.57) FFAR3KDM4EALDH1A1GAAHPGD
SCHEMBL11256668 0.60 ALDH1A1 (0.57) KDM4EALDH1A1GAAHPGDDNTT
SCHEMBL7107070 0.57 LMNA (0.69) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL2576010 0.56 LMNA (0.50) FFAR3KDM4EALDH1A1GAAHPGD
SCHEMBL8521929 0.56 ALDH1A1 (0.50) FFAR3KDM4EALDH1A1GAAHPGD
SCHEMBL7152871 0.55 ALDH1A1 (0.78) KDM4EALDH1A1GAAHPGDSMN1; 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
EP-0059291-B1 ANTIHYPERTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-27 EP claimed