SCHEMBL9768113

SCHEMBL9768113

CCCCCCC(C)c1cccc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
BCHE P06276 1/20 0.40
TYR P14679 1/20 0.40
ACHE P22303 1/20 0.40
SOAT1 P35610 1/20 0.40
SLC37A4 O43826 1/20 0.39
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
IAPP P10997 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL11839913 1.00 TSHR (0.46) TSHRMEN1ALDH1A1MAPTHTT
SCHEMBL10792784 1.00 TSHR (0.46) TSHRMEN1ALDH1A1MAPTHTT
SCHEMBL4954996 0.93 TSHR (0.48) TSHRMEN1ALDH1A1MAPTHTT
SCHEMBL11778813 0.91 TSHR (0.47) TSHRSOAT1GPR84FAAHCA1
SCHEMBL1838216 0.91 TSHR (0.47) TSHRSOAT1GPR84FAAHCA1
SCHEMBL1833660 0.91 TSHR (0.47) TSHRSOAT1GPR84FAAHCA1
SCHEMBL11777923 0.91 TSHR (0.47) TSHRSOAT1GPR84FAAHCA1
SCHEMBL18092117 0.91 TSHR (0.47) TSHRSOAT1GPR84FAAHCA1
SCHEMBL11783512 0.91 TSHR (0.47) TSHRSOAT1GPR84FAAHCA1
SCHEMBL1836925 0.91 TSHR (0.47) TSHRSOAT1GPR84FAAHCA1

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
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed