SCHEMBL9825707

SCHEMBL9825707

CC(C)(C)OC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2Cl)c1-n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
XPO1 O14980 1/20 0.39
IDO1 P14902 2/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
ADH5 P11766 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL9825713 1.00 LMNA (0.40) LMNAMAPTMEN1KMT2AXPO1
SCHEMBL9826644 0.87 CCNC (0.39) LMNAMAPTMEN1KMT2AIDO1
SCHEMBL9825265 0.87 CCNC (0.39) LMNAMAPTMEN1KMT2AIDO1
SCHEMBL9825639 0.85 MAPT (0.38) LMNAMAPTMEN1KMT2AIDO1
SCHEMBL9825635 0.85 MAPT (0.38) LMNAMAPTMEN1KMT2AIDO1
SCHEMBL478927 0.79 IDO1 (0.45) LMNAMAPTMEN1KMT2AXPO1
SCHEMBL478926 0.79 IDO1 (0.45) LMNAMAPTMEN1KMT2AXPO1
SCHEMBL10925847 0.74 XPO1 (0.38) LMNAMAPTMEN1KMT2AXPO1
SCHEMBL10925844 0.74 XPO1 (0.38) LMNAMAPTMEN1KMT2AXPO1
SCHEMBL1219446 0.71 MAPT (0.54) LMNAMAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195414-B1 2-AZOLYLPROPIONATE DERIVATIVES AND FUNGICIDES CONTAINING THE SAME SDS Biotech K.K. (JP) 1991-02-27 EP disclosed
US-4767752-A Imidazolyl or triazolyl substituted propionate derivative and nonmedical fungicide containing the same S.D.S. BIOTECH K.K. (JP) 1988-08-30 US disclosed
EP-0195414-A2 2-Azolylpropionate derivatives and fungicides containing the same SDS Biotech K.K. (JP) 1986-09-24 EP disclosed