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SCHEMBL8931999

SCHEMBL8931999

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(OCc2cccc(OC)c2)[C@H]2O[C@@](COc3ccc([N+](=O)[O-])cc3)(n3cc(C)c(=O)[nH]c3=O)C[C@@]2(O)[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ THRB P10828 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ KLF5 Q13887 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ FPR1 P21462 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL8931932 0.92 — —
SCHEMBL8931981 0.89 — —
SCHEMBL8932064 0.88 FPR1 (0.32) FPR1FPR2
SCHEMBL8932105 0.86 PLA2G2A (0.32) ALDH1A1MAPT
SCHEMBL8931951 0.86 — —
SCHEMBL8932019 0.83 JAK2 (0.30) ALDH1A1
SCHEMBL8932126 0.83 NQO2 (0.31) —
SCHEMBL8932009 0.79 TK1 (0.32) —
SCHEMBL8932048 0.78 TK1 (0.34) —
SCHEMBL8931955 0.77 TK1 (0.31) —

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-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 — — US disclosed