SCHEMBL11680486

SCHEMBL11680486

Cc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)c(O)c(C3CCCCC3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
LMNA P02545 6/20 0.64
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 1/20 0.64
ATM Q13315 1/20 0.64
HTT P42858 4/20 0.55
XBP1 P17861 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYTH2 Q99418 2/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL7402235 0.81 ALDH1A1 (0.62) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL7401941 0.79 LMNA (0.60) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL15705227 0.78 ALDH1A1 (1.00) ALDH1A1LMNAMAPTSMN1; SMN2TP53
Oxalic Acid SCHEMBL7981248 0.77 LMNA (0.54) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL7176831 0.74 CYTH2 (0.70) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL11678019 0.73 LMNA (0.60) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL11675866 0.73 LMNA (0.60) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL9319633 0.73 MAPT (0.61) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL18870862 0.71 FFAR4 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL7175384 0.71 CYTH2 (0.66) ALDH1A1LMNAMAPTHTTKMT2A

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-4013621-A OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed