SCHEMBL7066435

SCHEMBL7066435

CCCCOCC(O)(OCCCC)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.38
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 2/20 0.34
CES2 O00748 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
USP2 O75604 1/20 0.31
ATM Q13315 1/20 0.31
SMPD1 P17405 1/20 0.31

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
SCHEMBL6759981 0.98 CES1 (0.46) CES1TSHRALDH1A1HTTMEN1
SCHEMBL9637020 0.90 TSHR (0.56) CES1TSHRALDH1A1HTTMEN1
SCHEMBL9638125 0.89 TSHR (0.38) CES1TSHRALDH1A1HTTMEN1
SCHEMBL30366247 0.86 TSHR (0.57) CES1TSHRALDH1A1HTTMEN1
SCHEMBL6362864 0.86 TSHR (0.57) CES1TSHRALDH1A1HTTMEN1
SCHEMBL8616121 0.85 TSHR (0.35) CES1TSHRALDH1A1ADRB2ADRB1
SCHEMBL25520454 0.82 CES1 (0.47) CES1TSHRALDH1A1HTTMEN1
SCHEMBL6234480 0.82 CES1 (0.47) CES1TSHRALDH1A1HTTMEN1
SCHEMBL28876463 0.78 CES1 (0.52) CES1TSHRALDH1A1HTTMEN1
SCHEMBL20597461 0.78 TSHR (0.39) CES1TSHRALDH1A1HTTMEN1

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-1137729-B1 POWDER-COATED DOMESTIC APPLIANCES WITH A TOP COAT BASED ON EPOXY SILANE INST NEUE MAT GEMEIN GMBH (DE) 2003-06-04 EP claimed
EP-1150782-B1 POWDER-COATED SUBSTRATES WITH TOP COAT BASED ON SILANES CONTAINING EPOXIDE GROUPS INST NEUE MAT GEMEIN GMBH (DE) 2003-03-19 EP claimed
EP-0728164-B1 PROCESS FOR THE PRODUCTION OF COMPOUNDS BASED ON SILANES CONTAINING EPOXY GROUPS INST NEUE MAT GEMEIN GMBH (DE) 2002-04-17 EP claimed