SCHEMBL4963147

SCHEMBL4963147

COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCC(O)CC3)C2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.68
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
ATM Q13315 1/20 0.65
TSHR P16473 1/20 0.64
LMNA P02545 2/20 0.61
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL612254 1.00 EPHX2 (0.68) EPHX2RAB9ANPC1ATMTSHR
SCHEMBL612253 1.00 EPHX2 (0.68) EPHX2RAB9ANPC1ATMTSHR
SCHEMBL4003902 0.87 EPHX2 (0.79) EPHX2RAB9ANPC1ATMTSHR
SCHEMBL4003895 0.87 EPHX2 (0.79) EPHX2RAB9ANPC1ATMTSHR
SCHEMBL610257 0.83 HSD11B1 (0.57) RAB9ANPC1ATMTSHRPOLB
SCHEMBL610258 0.83 HSD11B1 (0.57) RAB9ANPC1ATMTSHRPOLB
SCHEMBL611727 0.82 EPHX2 (0.67) EPHX2RAB9ANPC1ATMTSHR
SCHEMBL611728 0.82 EPHX2 (0.67) EPHX2RAB9ANPC1ATMTSHR
SCHEMBL610187 0.82 EIF2AK3 (0.72) RAB9ANPC1ATMTSHRKMT2A
SCHEMBL610186 0.82 EIF2AK3 (0.72) RAB9ANPC1ATMTSHRKMT2A

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-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP claimed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP claimed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed