SCHEMBL8932126

SCHEMBL8932126

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(OCc2cccc(OC)c2)[C@H]2O[C@@](COCCCCNC(=O)C(F)(F)F)(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 3)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL8931951 0.91
SCHEMBL8931981 0.89
SCHEMBL8932064 0.88 FPR1 (0.32)
SCHEMBL8931932 0.85
SCHEMBL8932105 0.84 PLA2G2A (0.32)
SCHEMBL8931999 0.83 ALDH1A1 (0.32)
SCHEMBL8932019 0.80 JAK2 (0.30)
SCHEMBL8932069 0.79 TK1 (0.32)
SCHEMBL8932016 0.77 TK2 (0.32) NQO2MTNR1AMTNR1B
SCHEMBL8932048 0.76 TK1 (0.34)

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