SCHEMBL17399089

SCHEMBL17399089

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.31
PPARG P37231 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
SCHEMBL19261401 1.00 ALDH1A1 (0.33) ALDH1A1GAAKMT2APPARG
SCHEMBL25515228 0.82 ALDH1A1 (0.40) ALDH1A1KMT2A
SCHEMBL25515229 0.82 ALDH1A1 (0.40) ALDH1A1KMT2A
SCHEMBL17702738 0.81 ALDH1A1 (0.35) ALDH1A1KMT2APPARG
SCHEMBL14958851 0.81 ALDH1A1 (0.45) ALDH1A1KMT2APPARG
SCHEMBL17676165 0.81 ALDH1A1 (0.45) ALDH1A1KMT2APPARG
SCHEMBL17460818 0.77 ALDH1A1 (0.50) ALDH1A1KMT2APPARG
SCHEMBL927452 0.77
SCHEMBL19263443 0.76 ALDH1A1 (0.33) ALDH1A1PPARG
SCHEMBL17399521 0.76 ALDH1A1 (0.33) ALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242939-B2 Compositions and methods for the treatment of respiratory disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-01-26 US disclosed
US-9227974-B2 Compositions and methods for the treatment of respiratory disorders CELLEX BIO PRIVATE LIMITED (IN) 2016-01-05 US disclosed