SCHEMBL11580901

SCHEMBL11580901

COc1cc(O)ccc1[S+]([O-])c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
GUSB P08236 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ERN1 O75460 1/20 0.35
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CMA1 P23946 1/20 0.33
GAA P10253 1/20 0.33
CXCL12 P48061 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11748444 0.88 MAOB (0.40) MAOBGUSBERN1MAPTCYP3A4
SCHEMBL11582017 0.84 MAOB (0.46) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL11584209 0.84 LMNA (0.43) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL28682144 0.77 TRPV4 (0.46) ALDH1A1MEN1KMT2AFLT1FLT4
SCHEMBL11741371 0.75 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL23554329 0.75 MAOB (0.53) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL7935399 0.72 MAPK1 (0.46) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL11743909 0.72 MAOB (0.42) MAOBESR1ESR2MAPTCYP3A4
SCHEMBL10537822 0.69 TSHR (0.41) MAPTCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL3192396 0.68 MAOB (0.48) MAOBESR1ESR2MAPTCYP3A4

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