SCHEMBL9412419

SCHEMBL9412419

CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CES2 O00748 4/20 0.41
CES1 P23141 3/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 6/20 0.38
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL15529777 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL15529767 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL15529628 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL15529876 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL674337 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL15529227 0.98 ALDH1A1 (0.43) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL8837576 0.92 ALDH1A1 (0.39) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL78640 0.91 ALDH1A1 (0.44) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL940522 0.83 ALDH1A1 (0.41) ALDH1A1CES2CES1FAAHTSHR
SCHEMBL11301675 0.83 ALDH1A1 (0.41) ALDH1A1CES2CES1FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6306088-A None JP disclosed
WO-2013167585-A2 RECYCLING OF ORGANOTIN COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2013-11-14 WO disclosed
EP-2662379-A1 Recycling of organotin compounds Universiteit Antwerpen (BE) 2013-11-13 EP disclosed
JP-H06306088-A PRODUCTION OF HIGH-PURITY TRI-N-OCTYLTIN HYDRIDE SANKYO YUKI GOSEI KK 1994-11-01 JP disclosed
US-4301173-A USING A TRIALKYLTIN COMPOUND NITTO KASEI CO., LTD. (JP) 1981-11-17 US disclosed