SCHEMBL4950189

SCHEMBL4950189

C=CCc1cc(C(C)C)c(N=[C]C)c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 1/20 0.32
XDH P47989 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR3 P51677 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH2 P05091 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
GABRA1 P14867 1/20 0.30
AKR1B1 P15121 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5598779 0.74 GSR (0.53) ALDH1A1PPARGPPARDXDHCYP3A4
SCHEMBL4948613 0.74 ALDH1A1 (0.35) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL5599075 0.71 ALDH1A1 (0.44) ALDH1A1PPARGPPARDPPARATP53
SCHEMBL5612956 0.69 KCNN2 (0.32) ALDH1A1PPARGPPARDPPARATP53
SCHEMBL5612959 0.69 KCNN2 (0.32) ALDH1A1PPARGPPARDPPARATP53
SCHEMBL5838034 0.68 MAPT (0.51) ALDH1A1CYP3A4ALOX15TSHRALOX12
SCHEMBL31275637 0.67 ALDH1A1 (0.38) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL9774970 0.67 ALDH1A1 (0.38) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL4948083 0.67 GABRA1 (0.44) CYP3A4TSHRSMN1; SMN2GABRA1HPGD
SCHEMBL4948079 0.67 GABRA1 (0.44) CYP3A4TSHRSMN1; SMN2GABRA1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319083-B2 Polymerized catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-01-15 US disclosed
US-20040157728-A1 For polymerizing or oligomerizing one or more olefins EXXONMOBIL CHEMICAL PATENTS INC. 2004-08-12 US disclosed