SCHEMBL9265407

SCHEMBL9265407

O=C(O)CS[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
HSD11B1 P28845 5/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CTSK P43235 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PTGDR Q13258 1/20 0.34
POLB P06746 1/20 0.34
AGER Q15109 1/20 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
SCHEMBL9265400 1.00 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1HSD11B1KMT2A
SCHEMBL9268942 0.87 NPC1 (0.35) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9268939 0.87 NPC1 (0.35) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9268159 0.86 FFAR1 (0.46) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9268156 0.86 FFAR1 (0.46) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9266729 0.85 SMN1; SMN2 (0.38) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9261268 0.85 NPC1 (0.45) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9261261 0.85 NPC1 (0.45) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9266726 0.85 SMN1; SMN2 (0.38) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9261705 0.85 HPGD (0.46) SMN1; SMN2RAB9AKMT2AALDH1A1DDB1

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