SCHEMBL8420927

SCHEMBL8420927

CCCCOC(C)(CO)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL22960180 0.93 TSHR (0.44) TSHRALDH1A1CYP4F2CYP4A11ADRB2
SCHEMBL22971752 0.88 MEN1 (0.41) TSHRALDH1A1MEN1THRBHTT
SCHEMBL1358074 0.86 MEN1 (0.45) TSHRALDH1A1MEN1THRBHTT
SCHEMBL6021113 0.86 MEN1 (0.45) TSHRALDH1A1MEN1THRBHTT
SCHEMBL5333125 0.85 TSHR (0.33) TSHRALDH1A1
SCHEMBL27996797 0.76 TSHR (0.37) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11003484 0.76 TSHR (0.42) TSHRALDH1A1CYP4F2CYP4A11ADRB2
SCHEMBL4980904 0.75 TSHR (0.42) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL1836600 0.74 TSHR (0.41) TSHRALDH1A1CYP4F2CYP4A11ADRB2
SCHEMBL940932 0.74 TSHR (0.36) TSHRALDH1A1CYP4F2CYP4A11ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686171-B1 ETHER COSOLVENTS FOR RESIN FORMULATIONS BP CHEM INT LTD (GB) 1999-09-22 EP claimed