SCHEMBL18965607

SCHEMBL18965607

CCCCC(F)(F)C(=O)CCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CES2 O00748 3/20 0.40
FAAH O00519 8/20 0.39
HSD11B1 P28845 1/20 0.39
CES1 P23141 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
NAAA Q02083 1/20 0.36

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
SCHEMBL12091326 0.81 CES2 (0.33) CYP1A2CES2FAAHCES1MEN1
SCHEMBL22139465 0.81 CES2 (0.33) CYP1A2CES2FAAHCES1MEN1
SCHEMBL10820831 0.81 HSD11B1 (0.45) CYP1A2HSD11B1HPGD
SCHEMBL18965386 0.80 CES2 (0.35) CYP1A2CES2FAAHCES1MEN1
SCHEMBL8115343 0.78 FAAH (0.56) CYP1A2CES2FAAHCES1MEN1
SCHEMBL9767600 0.74 FAAH (0.67) CYP1A2CES2FAAHCES1MEN1
SCHEMBL18965392 0.74 TLR4 (0.33) CYP1A2CES2FAAHCES1MEN1
SCHEMBL15779595 0.74 TLR4 (0.33) CYP1A2CES2FAAHCES1MEN1
SCHEMBL24248166 0.74 CYP1A2 (0.35) CYP1A2CES2FAAHCES1MEN1
SCHEMBL20654764 0.72 CES2 (0.59) CYP1A2CES2FAAHCES1MEN1

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-1981867-B1 METHOD FOR PREPARING PROSTAGLANDIN DERIVATIVE R-TECH UENO LTD (JP) 2017-06-14 EP disclosed