SCHEMBL18993482

SCHEMBL18993482

C/C=C\C=C/C=C(\C)C(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 4/20 0.31
CNR2 P34972 4/20 0.31
TRPA1 O75762 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL10289438 0.77 ALDH1A1 (0.39) PTGS1ALDH1A1CNR1CNR2TRPA1
SCHEMBL10535096 0.77 ALDH1A1 (0.39) PTGS1ALDH1A1CNR1CNR2TRPA1
SCHEMBL25732848 0.76 ALDH1A1 (0.32) PTGS1ALDH1A1
SCHEMBL19152232 0.75 PTGS1 (0.58) PTGS1ALDH1A1
SCHEMBL14953173 0.75 PTGS1 (0.58) PTGS1ALDH1A1
SCHEMBL14953172 0.75 PTGS1 (0.58) PTGS1ALDH1A1
SCHEMBL17752195 0.73
SCHEMBL15081571 0.73
SCHEMBL15081470 0.73
SCHEMBL20754284 0.72 ALDH1A1 (0.33) ALDH1A1

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-9682097-B2 Oligonucleotide analogues targeting human LMNA SAREPTA THERAPEUTICS, INC. (US) 2017-06-20 US disclosed