SCHEMBL19005964

SCHEMBL19005964

CCCOc1cc2c(cc1CCCc1ccc(OC)c([N+](=O)[O-])c1)OCCS2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 8/20 0.36
ALPG P10696 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL19005998 0.91 LMNA (0.39) MAPTLMNAALDH1A1ALPGPKM
SCHEMBL19005979 0.85 HTT (0.36) MAPTALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL18987254 0.82 MAPT (0.37) MAPTLMNAALDH1A1ALPGPKM
SCHEMBL19005974 0.80 LMNA (0.38) MAPTLMNAALDH1A1ALPGPKM
SCHEMBL19005960 0.78 REN (0.34) LMNASMN1; SMN2KMT2A
SCHEMBL19005961 0.76 REN (0.36)
SCHEMBL18987377 0.76 REN (0.36)
SCHEMBL19005968 0.75 GAA (0.37) MAPTALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL996841 0.75 MAPT (0.55) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL997072 0.73 MAPT (0.55) MAPTLMNAALDH1A1NPSR1SMN1; 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