SCHEMBL10985168

SCHEMBL10985168

CCCCCCCC[CH]CCCOC(F)(F)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.33
CES1 P23141 3/20 0.33
TSHR P16473 2/20 0.32
CES2 O00748 1/20 0.32
LPAR3 Q9UBY5 2/20 0.31
LPAR1 Q92633 1/20 0.30
LPAR2 Q9HBW0 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
SCHEMBL11995881 0.83 CES2 (0.38) FAAHCES1TSHRCES2LPAR3
SCHEMBL2517597 0.81 ADRB2 (0.35) CES1TSHRCES2
SCHEMBL2522757 0.72
SCHEMBL21069189 0.72
SCHEMBL25171005 0.69 TSHR (0.58) FAAHTSHR
SCHEMBL25177176 0.69 TSHR (0.58) FAAHTSHR
SCHEMBL25170219 0.69 TSHR (0.58) FAAHTSHR
SCHEMBL25171013 0.69 TSHR (0.58) FAAHTSHR
SCHEMBL25176521 0.69 TSHR (0.58) FAAHTSHR
SCHEMBL25173853 0.69 TSHR (0.58) FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP claimed
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP disclosed