SCHEMBL3748016

SCHEMBL3748016

C=CC(=O)OCCc1ccc(NC(C)Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIGMAR1 Q99720 10/20 0.41
MAOB P27338 1/20 0.41
ACACB O00763 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Acrylic Acid Methyl Ester SCHEMBL28871054 0.82 THRB (0.58) THRBHCAR2AKR1B10AKR1B1MAOB
SCHEMBL40718 0.80 THRB (0.67) THRBHCAR2AKR1B10AKR1B1NPC1
SCHEMBL149640 0.78 THRB (0.59) THRBHCAR2AKR1B10AKR1B1NPC1
SCHEMBL24788139 0.76 THRB (0.46) THRBHCAR2AKR1B10AKR1B1MAOB
Carbon Monoxide SCHEMBL10707595 0.76 THRB (0.61) THRBHCAR2AKR1B10AKR1B1NPC1
Ethylene Glycol SCHEMBL6491859 0.76 THRB (0.61) THRBHCAR2AKR1B10AKR1B1NPC1
SCHEMBL12648248 0.76 THRB (0.48) THRBHCAR2AKR1B10AKR1B1NPC1
SCHEMBL9806249 0.76 TSHR (0.59) THRBHCAR2AKR1B10AKR1B1MAOB
Methacrylic Acid SCHEMBL7262507 0.75 THRB (0.56) THRBHCAR2AKR1B10AKR1B1MAOB
SCHEMBL144847 0.75 THRB (0.59) THRBHCAR2AKR1B10AKR1B1MAOB

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-7838188-B2 Electrophotographic photoconductor, image forming method, image forming apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2010-11-23 US disclosed
US-20070231720-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2007-10-04 US disclosed