SCHEMBL11582017

SCHEMBL11582017

COc1cc(O)ccc1[S+]([O-])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
MAPT P10636 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
AKR1B10 O60218 2/20 0.35
AKR1B1 P15121 2/20 0.35
APP P05067 1/20 0.35
TTR P02766 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL11743909 0.87 MAOB (0.42) MAOBESR1ESR2MAPTCA1
SCHEMBL11580901 0.84 MAOB (0.43) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL3192396 0.83 MAOB (0.48) MAOBESR1ESR2MAPTCA1
SCHEMBL11584209 0.83 LMNA (0.43) MAOBESR1ESR2MAPTTP53
SCHEMBL440865 0.81 CA12 (0.33) CA1CA2TUBB1
SCHEMBL6915522 0.79 CA1 (0.46) MAPTCA1CA2TP53TSHR
SCHEMBL11765918 0.79 ALOX5 (0.45) ESR1ESR2MAPTCA1CA2
SCHEMBL23554329 0.78 MAOB (0.53) MAOBESR1ESR2MAPTTP53
SCHEMBL11747368 0.74 MEN1 (0.39) ESR1ESR2MAPTTP53TSHR
SCHEMBL3202166 0.73 MAOB (0.44) MAOBESR1ESR2MAPTCA1

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-4066619-A STABILIZERS FOR POLYOLEFINS THE B. F. GOODRICH COMPANY (US) 1978-01-03 US claimed