SCHEMBL9259375

SCHEMBL9259375

COc1cccc(S[C@@H]2CCCC[C@H]2SCC(=O)Nc2c(C)cccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL9259373 1.00 MAPT (0.46) MAPTALDH1A1NPC1RAB9ASIRT2
SCHEMBL9254864 0.90 ALDH1A1 (0.50) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL9382181 0.90 ALDH1A1 (0.50) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL9264228 0.85 KMT2A (0.43) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9600856 0.85 KMT2A (0.43) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9263781 0.85 KMT2A (0.43) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9263786 0.85 KMT2A (0.43) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9265614 0.85 KMT2A (0.44) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9265611 0.85 KMT2A (0.44) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9381098 0.84 KMT2A (0.42) MAPTALDH1A1KMT2ASMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476944-A Inhibitors or stimulators of superoxide generation; may also inhibit cyclooxygenase and/or 5-lipoxygenase; useful in therapeutic or prophylactic treatment of disease conditions G. D. SEARLE & CO. (US) 1995-12-19 US disclosed
WO-1993010087-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed