SCHEMBL2234050

SCHEMBL2234050

O=C(O)[C@H]1CCOCC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
RIPK1 Q13546 2/20 0.42
FFAR1 O14842 1/20 0.41
HDAC4 P56524 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC9A1 P19634 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
PRCP P42785 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL2234047 1.00 RORC (0.44) RORCAKR1C3AKR1C1RIPK1FFAR1
SCHEMBL3192829 0.91 RAB9A (0.46) RORCFFAR1HPGDNPC1RAB9A
SCHEMBL3185232 0.91 RAB9A (0.46) RORCFFAR1HPGDNPC1RAB9A
SCHEMBL3192842 0.91 RAB9A (0.46) RORCFFAR1HPGDNPC1RAB9A
SCHEMBL3185240 0.91 RAB9A (0.46) RORCFFAR1HPGDNPC1RAB9A
SCHEMBL3185226 0.91 RAB9A (0.46) RORCFFAR1HPGDNPC1RAB9A
SCHEMBL2190282 0.85 SLC6A4 (0.38) RORCFFAR1
SCHEMBL2190273 0.85 SLC6A4 (0.38) RORCFFAR1
SCHEMBL2188352 0.85 SLC6A4 (0.38) RORCFFAR1
SCHEMBL2188350 0.85 SLC6A4 (0.38) RORCFFAR1

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
EP-2361246-A1 OXOPIPERIDINYL AND PYRANYL SULFONAMIDES AS AMPA POTENTIATORS Pfizer Inc. (US) 2011-08-31 EP disclosed
WO-2010038167-A1 OXOPIPERIDINYL AND PYRANYL SULFONAMIDES AS AMPA POTENTIATORS PFIZER INC. (US) 2010-04-08 WO disclosed