SCHEMBL8932105

SCHEMBL8932105

CCCCC[C@]1(n2cc(C)c(=O)[nH]c2=O)C[C@@](O)([Si](C)(C)C(C)(C)C)[C@@H](C(OCc2cccc(OC)c2)C(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
EED O75530 1/20 0.30
RBBP4 Q09028 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
AEBP2 Q6ZN18 1/20 0.30
TDP1 Q9NUW8 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 0.88
SCHEMBL8931951 0.88
SCHEMBL8931981 0.86
SCHEMBL8931999 0.86 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL8932019 0.86 JAK2 (0.30) ALDH1A1EEDRBBP4SUZ12EZH2
SCHEMBL8932064 0.85 FPR1 (0.32)
SCHEMBL8932126 0.84 NQO2 (0.31)
SCHEMBL8931928 0.80 TK1 (0.33)
SCHEMBL8932048 0.79 TK1 (0.34)
SCHEMBL8931953 0.79 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