SCHEMBL6434393

SCHEMBL6434393

CC(C)=CCCC1CC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.40
PGGT1B P53609 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
PPARG P37231 2/20 0.36
FNTB P49356 1/20 0.35
NFE2L2 Q16236 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 2/20 0.33
BCL2L1 Q07817 4/20 0.32
MCL1 Q07820 4/20 0.32
BCL2 P10415 2/20 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
SCHEMBL7400783 0.75 FNTA (0.36) FNTAPGGT1BMEN1KMT2AALDH1A1
SCHEMBL13859382 0.74
SCHEMBL4483996 0.73
SCHEMBL20803395 0.72 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1PPARGCYP1A2
SCHEMBL17386534 0.70 ALDH1A1 (0.53) ALDH1A1PPARGCYP1A2
SCHEMBL17386533 0.70 ALDH1A1 (0.53) ALDH1A1PPARGCYP1A2
SCHEMBL17386532 0.70 ALDH1A1 (0.53) ALDH1A1PPARGCYP1A2
SCHEMBL20618123 0.70
SCHEMBL1143190 0.70
SCHEMBL6274378 0.70

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-1109798-B1 GERANIC ACID DERIVATIVES FIRMENICH & CIE (CH) 2005-10-12 EP claimed