SCHEMBL30360756

SCHEMBL30360756

C=CCc1ccc(Oc2cccc(C#N)c2C#N)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
PPARA Q07869 2/20 0.56
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
PTGS1 P23219 2/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX5 P09917 1/20 0.46
AR P10275 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL20510892 1.00 ALDH1A1 (0.56) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL30360752 0.87 ALDH1A1 (0.43) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL20511125 0.87 ALDH1A1 (0.43) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL1870530 0.80 ALDH1A1 (0.86) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL18914628 0.79 ALDH1A1 (0.45) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL20510893 0.79 ALDH1A1 (0.60) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL286443 0.78 ALDH1A1 (0.65) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL28408790 0.77 POLB (0.51) ALDH1A1MAPTSMN1; SMN2LMNAGAA
Methyleugenol SCHEMBL5564539 0.76 ALDH1A1 (0.96) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL20510894 0.76 KDM4E (0.40) ALDH1A1SMN1; SMN2LMNAGAATDP1

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
CN-110461814-B Resin blends, prepregs and articles containing a phthalonitrile reactive diluent and a bisphthalonitrile resin 3M创新有限公司 2023-04-14 CN disclosed