SCHEMBL19005974

SCHEMBL19005974

CCCOc1cc2c(cc1CCCc1ccc(OC)c([N+](=O)[O-])c1)OCS2(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 8/20 0.37
MAPT P10636 5/20 0.37
ALPG P10696 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18987254 0.91 MAPT (0.37) LMNAALDH1A1MAPTALPGPKM
SCHEMBL19005967 0.85 GAA (0.36) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL19005998 0.81 LMNA (0.39) LMNAALDH1A1MAPTALPGPKM
SCHEMBL19005964 0.80 MAPT (0.38) LMNAALDH1A1MAPTALPGPKM
SCHEMBL19005991 0.77 MTNR1A (0.34) MAPTSMN1; SMN2KMT2A
SCHEMBL19005918 0.77 HTR1A (0.38) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL18987303 0.75 MAPT (0.51) LMNAALDH1A1MAPTNPSR1HTT
SCHEMBL19005916 0.71 RAB9A (0.31) LMNAALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL19005986 0.71 CSNK2A1 (0.34) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL19006005 0.70 HTR1A (0.34) LMNAMAPTSMN1; 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
WO-2017103637-A1 DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY BLIRT S.A. (PL) 2017-06-22 WO disclosed