SCHEMBL19005998

SCHEMBL19005998

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
ALDH1A1 P00352 7/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 6/20 0.38
ALPG P10696 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 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
SCHEMBL19005964 0.91 MAPT (0.38) LMNAALDH1A1PKMMAPTALPG
SCHEMBL19005968 0.84 GAA (0.37) ALDH1A1MAPTNPSR1SMN1; SMN2GAA
SCHEMBL19005974 0.81 LMNA (0.38) LMNAALDH1A1PKMMAPTALPG
SCHEMBL18987254 0.80 MAPT (0.37) LMNAALDH1A1PKMMAPTALPG
SCHEMBL19005979 0.75 HTT (0.36) ALDH1A1MAPTNPSR1SMN1; SMN2GAA
SCHEMBL996693 0.74 TUBB4A (0.61) LMNAALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL996692 0.74 TUBB4A (0.61) LMNAALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL8973887 0.70 SMN1; SMN2 (0.57) LMNAALDH1A1PKMNPSR1SMN1; SMN2
SCHEMBL18987379 0.69 CYP19A1 (0.46) LMNAMAPTGAAMEN1KMT2A
SCHEMBL19005960 0.69 REN (0.34) LMNASMN1; SMN2KMT2A

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