SCHEMBL9324909

SCHEMBL9324909

CCCCCS(=O)(=O)CCCCC.O=C(O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.50
CES1 P23141 5/20 0.50
CES2 O00748 2/20 0.50
CA2 P00918 1/20 0.50
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
AKR1B1 P15121 1/20 0.42
TP53 P04637 1/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
GPR84 Q9NQS5 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
TLR2 O60603 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
FABP4 P15090 1/20 0.41

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
Acetic Acid SCHEMBL9621822 0.86 CA2 (0.56) FAAHCES1CES2CA2ALDH1A1
SCHEMBL9941 0.84 CA2 (0.64) FAAHCES1CES2CA2TSHR
SCHEMBL9324650 0.84 EPHX2 (0.50) FAAHCES1CES2ALDH1A1TSHR
SCHEMBL10655492 0.83 ALDH1A1 (0.59) FAAHCES1CES2CA2ALDH1A1
Alcohol SCHEMBL8778794 0.82 CA2 (0.56) FAAHCES1CES2CA2ALDH1A1
SCHEMBL7432137 0.82 APEX1 (0.65) FAAHCES1CES2ALDH1A1TSHR
Succinic Acid SCHEMBL1470428 0.82 GPR84 (0.60) FAAHCES2CA2ALDH1A1TSHR
Fluoride SCHEMBL25435314 0.82 CA2 (0.61) FAAHCES1CES2CA2TSHR
SCHEMBL350042 0.82 CA2 (0.68) FAAHCES1CES2CA2TSHR
SCHEMBL5586100 0.82 CA2 (0.68) FAAHCES1CES2CA2TSHR

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-0415473-B1 Process for preparing sulphophenyl carbonate esters UNILEVER NV (NL) 1994-02-09 EP claimed