SCHEMBL4893829

SCHEMBL4893829

c1ccc([N+]2(c3ccccc3)CC[N+](c3ccccc3)(c3ccccc3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CALM1 P0DP23 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CHRNA7 P36544 2/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CHRNA3 P32297 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CHRNB2 P17787 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRNA4 P43681 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TSHR P16473 3/20 0.32
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL15282149 1.00 CYP1A2 (0.35) CYP1A2CYP2C9CALM1ALDH1A1CHRNA7
SCHEMBL4899672 0.88 LMNA (0.39) CYP1A2CYP2C9CALM1ALDH1A1CHRNA7
SCHEMBL1618360 0.85 PABPC1 (0.38) CYP1A2CYP2C9ALDH1A1CHRNA7LMNA
SCHEMBL1616696 0.85 PABPC1 (0.38) CYP1A2CYP2C9ALDH1A1CHRNA7LMNA
SCHEMBL2290692 0.81 CYP1A2 (0.50) CYP1A2CYP2C9ALDH1A1CHRNA7LMNA
SCHEMBL4907271 0.81 ORAI1 (0.40) CYP2C9ALDH1A1SIGMAR1TSHRHIF1A
Methyl Alcohol SCHEMBL6903083 0.81 APOBEC3A (0.40) CYP1A2CYP2C9ALDH1A1CHRNA7LMNA
SCHEMBL11696766 0.80 ALDH1A1 (0.33) ALDH1A1LMNATSHR
SCHEMBL6799599 0.74 ESR1 (0.37) CYP2C9LMNACYP3A4MEN1KMT2A
SCHEMBL4903817 0.73 ALDH1A1 (0.33) CYP1A2CYP2C9ALDH1A1CHRNA7LMNA

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-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed