SCHEMBL4670997

SCHEMBL4670997

O=C(c1ccc(C(F)(F)F)cc1)C1CC[N]CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
MGLL Q99685 3/20 0.55
KDM2B Q8NHM5 2/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.43
SRD5A2 P31213 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL4023293 0.88 HSD11B1 (0.63) HSD11B1MGLLKDM2BCES2CES1
SCHEMBL1855141 0.84 HSD11B1 (0.60) HSD11B1MGLLKDM2BCES2CES1
SCHEMBL19650840 0.84 HSD11B1 (0.60) HSD11B1MGLLKDM2BCES2CES1
SCHEMBL4671079 0.83 MEN1 (0.56) MAPTLMNAGAAMEN1ALDH1A1
SCHEMBL26081057 0.83 HSD11B1 (0.58) HSD11B1MGLLKDM2BCES2CES1
SCHEMBL4671500 0.81 HSD11B1 (0.58) HSD11B1MGLLPOLBGAAALDH1A1
SCHEMBL4240412 0.80 MEN1 (0.61) HSD11B1MGLLKDM2BCES2CES1
SCHEMBL4672863 0.79 KDM4E (0.53) HSD11B1MGLLPOLBLMNAGAA
Hydrochloric Acid SCHEMBL21384816 0.79 MEN1 (0.64) HSD11B1MGLLKDM2BCES2CES1
SCHEMBL4673866 0.77 MGLL (0.51) HSD11B1MGLLCES2CES1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed