SCHEMBL7702275

SCHEMBL7702275

O=COC(c1cccc2c1Cc1ccccc1-2)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.39
HTR2B P41595 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PNMT P11086 1/20 0.36
ALDH1A1 P00352 4/20 0.33
MAOA P21397 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
RRM1 P23921 1/20 0.33
RRM2B Q7LG56 1/20 0.33
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL7702272 0.82 HTR7 (0.39) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL4462321 0.78 NPC1 (0.41) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL5140754 0.76 NPC1 (0.40) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL16096838 0.72 NPC1 (0.40) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL6129732 0.71 PNMT (0.37) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL5500788 0.71 NPC1 (0.36) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL26434306 0.70 PNMT (0.49) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL20920147 0.69 RAB9A (0.47) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL21046174 0.68 HTR2B (0.49) HTR7HTR2BNPC1RAB9APNMT
SCHEMBL2233833 0.68 RAB9A (0.46) HTR7HTR2BNPC1RAB9APNMT

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
US-6342582-B1 PURIFICATION AND/OR BIOSYNTHESIS OF OLIGOPEPTIDES IN PRESENCE OF A PHENOL OR MIXTURE; DEBLOCKING, AMIDATION; VACCINES, DRUGS, FOOD, AGRICULTURE RHODIA CHIMIE (FR) 2002-01-29 US disclosed
US-5798443-A MEDIUM COMPRISING WATER IMMISCIBLE DILUENT AND HYDROXYAROMATIC COMPOUND RHONE-POULENC CHIMIE (FR) 1998-08-25 US disclosed