SCHEMBL9268156

SCHEMBL9268156

O=C(O)CSC1CCCCC1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 1/20 0.43
GRM6 O15303 2/20 0.40
GRM2 Q14416 2/20 0.40
GRM3 Q14832 2/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
CXCL12 P48061 1/20 0.37
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSK P43235 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
F2 P00734 2/20 0.35

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
SCHEMBL9268159 1.00 FFAR1 (0.46) FFAR1RAB9ANPC1KMT2AGRM6
SCHEMBL9268939 0.88 NPC1 (0.35) FFAR1RAB9ANPC1KMT2AHPGD
SCHEMBL9268942 0.88 NPC1 (0.35) FFAR1RAB9ANPC1KMT2AHPGD
SCHEMBL9261832 0.87 FFAR1 (0.38) FFAR1RAB9ANPC1KMT2AALDH1A1
SCHEMBL9261835 0.87 FFAR1 (0.38) FFAR1RAB9ANPC1KMT2AALDH1A1
SCHEMBL9261268 0.86 NPC1 (0.45) RAB9ANPC1KMT2AHPGDALDH1A1
SCHEMBL9265407 0.86 SMN1; SMN2 (0.45) RAB9ANPC1KMT2AALDH1A1CTSK
SCHEMBL9261261 0.86 NPC1 (0.45) RAB9ANPC1KMT2AHPGDALDH1A1
SCHEMBL9266729 0.86 SMN1; SMN2 (0.38) RAB9ANPC1KMT2AALDH1A1CTSK
SCHEMBL9266726 0.86 SMN1; SMN2 (0.38) RAB9ANPC1KMT2AALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613463-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1994-09-07 EP claimed
US-5272178-A Compounds of cyclic phenolic thioethers which are useful in stimulating and inhibiting superoxide generation G. D. SEARLE & CO. (US) 1993-12-21 US claimed
WO-1993010087-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
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
EP-0613463-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1994-09-07 EP 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