SCHEMBL11475892

SCHEMBL11475892

CCCCCCCCCCCCCCCCCCCCCCSC(C)CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL9860881 0.88 GPR84 (0.53) EPHX1GPR84PPARGPPARDPPARA
SCHEMBL6460926 0.86 FFAR4 (0.53) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL8177434 0.86 FFAR4 (0.47) EPHX1GPR84TSHRFFAR1FFAR4
SCHEMBL10636479 0.85 GABRP (0.45) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9164196 0.84 GPR84 (0.52) EPHX1GPR84PPARGPPARDPPARA
SCHEMBL31361791 0.84 GPR84 (0.52) EPHX1GPR84PPARGPPARDPPARA
SCHEMBL28948898 0.84 GPR84 (0.52) EPHX1GPR84PPARGPPARDPPARA
SCHEMBL11268390 0.81 EPHX1 (0.55) EPHX1GPR84PPARGPPARDPPARA
SCHEMBL9106812 0.81 EPHX1 (0.55) EPHX1GPR84PPARGPPARDPPARA
SCHEMBL20985036 0.79 GPR84 (0.47) EPHX1GPR84PPARGPPARDPPARA

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-4239803-A CONTAINING ALKYLTHIOALKYLENECAROXYLIC ACID ESTER OF A POLYCARBOCYCC POLYHYDRIC PHENOL ARGUS CHEMICAL CORPORATION (US) 1980-12-16 US disclosed