SCHEMBL17742271

SCHEMBL17742271

C=C(/C=C\C)N(C)CCCC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
DNM1 Q05193 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
SCHEMBL25912898 0.78
SCHEMBL20021192 0.78 CA12 (0.42) ALDH1A1TSHR
SCHEMBL16019089 0.72 DNM1 (0.38) EPHX2ALDH1A1TSHRDNM1
SCHEMBL21863278 0.71 EPHX2 (0.31) EPHX2
SCHEMBL16019091 0.70
SCHEMBL20133635 0.70
SCHEMBL23823928 0.69
SCHEMBL20009327 0.68 CA12 (0.34) TSHR
SCHEMBL10102805 0.68 EPHX2 (0.32) EPHX2
SCHEMBL20432161 0.67 DNM1 (0.33) EPHX2ALDH1A1TSHRDNM1

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
WO-2016073891-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2016-05-12 WO disclosed