SCHEMBL4675883

SCHEMBL4675883

O=C(c1ccc(Oc2ccccc2)cc1)C1CC[N]CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 2/20 0.53
MGLL Q99685 1/20 0.53
KDM2B Q8NHM5 3/20 0.51
PARP10 Q53GL7 1/20 0.49
HTT P42858 1/20 0.48
SRD5A2 P31213 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL19317518 0.89 ALDH1A1 (0.59) ALDH1A1MAPK1MGLLKDM2BPARP10
SCHEMBL31279890 0.89 ALDH1A1 (0.59) ALDH1A1MAPK1MGLLKDM2BPARP10
SCHEMBL654047 0.85 HTR2A (0.49) ALDH1A1MGLLSRD5A2
SCHEMBL6032432 0.84 ALDH1A1 (0.67) ALDH1A1MAPK1MGLLKDM2BPARP10
SCHEMBL4674650 0.82 MGLL (0.54) ALDH1A1MAPK1MGLLKDM2BNPC1
SCHEMBL4675888 0.81 MEN1 (0.58) ALDH1A1MAPK1MGLLKDM2BPARP10
SCHEMBL4675008 0.81 NPC1 (0.71) ALDH1A1MAPK1MGLLKDM2BLMNA
Hydrochloric Acid SCHEMBL11617476 0.80 MEN1 (0.60) ALDH1A1MAPK1MGLLKDM2BPARP10
SCHEMBL10807356 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1MGLLKDM2BPARP10
SCHEMBL9041510 0.79 SRD5A2 (0.47) ALDH1A1MGLLSRD5A2

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