SCHEMBL8977041

SCHEMBL8977041

COC(=O)CCc1cc(C(C)(C)C)c(OP2N(c3ccccc3)P(Oc3c(C(C)(C)C)cc(CCC(=O)OC)cc3C(C)(C)C)N2c2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
NTRK1 P04629 1/20 0.40
VCAM1 P19320 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTPN1 P18031 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL8976831 0.84 P2RY10 (0.40) NTRK1LMNA
SCHEMBL8976811 0.82 GAA (0.43) GAAVCAM1MAOBMAOAALDH1A1
SCHEMBL2612481 0.76 GAA (0.43) GAANTRK1VCAM1MAOBMAOA
SCHEMBL20862842 0.76 GAA (0.51) GAAVCAM1ALDH1A1LMNASMN1; SMN2
SCHEMBL2612483 0.75 GAA (0.42) GAAVCAM1MAOBMAOAALDH1A1
SCHEMBL11494154 0.74 GAA (0.43) GAANTRK1VCAM1MAOBMAOA
SCHEMBL490767 0.73 GAA (0.67) GAAVCAM1TSHRALDH1A1LMNA
SCHEMBL11318841 0.72 GAA (0.37) GAAVCAM1MAOBMAOAALDH1A1
SCHEMBL2612474 0.72 GAA (0.48) GAAVCAM1ALDH1A1LMNAAGTR1
SCHEMBL28552523 0.72 GAA (0.50) GAAVCAM1MAOBMAOAALDH1A1

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
US-5534646-A OXIDATION RESISTANCE FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed