SCHEMBL9558369

SCHEMBL9558369

C#CC(OCC(C)(C)C)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.39
GLI1 P08151 1/20 0.37
GLI2 P10070 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP1 P29466 1/20 0.35
MAOB P27338 1/20 0.35
FFAR1 O14842 2/20 0.34
RIPK1 Q13546 1/20 0.34
FAAH O00519 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
SCHEMBL9558430 0.86 ALDH1A1 (0.45) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL9050239 0.80 PTGS1 (0.54) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11147918 0.77 PTGS1 (0.54) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL15151142 0.74 PTGS1 (0.58) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL28249652 0.72 RIPK1 (0.35) MEN1KMT2AALDH1A1RIPK1
SCHEMBL28249650 0.72 RIPK1 (0.35) MEN1KMT2AALDH1A1RIPK1
Alcohol SCHEMBL11147915 0.70 PTGS1 (0.54) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11202378 0.70 PTGS1 (0.53) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL10550089 0.70 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL8577668 0.70 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257415-B1 INSECTICIDAL RESIN COATING FILM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP disclosed