SCHEMBL7775658

SCHEMBL7775658

CC(C)(C)C(=O)C1OC1c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.46
EPHX1 P07099 2/20 0.39
PDE5A O76074 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP2C19 P33261 1/20 0.36
KIF11 P52732 3/20 0.36
KCNH2 Q12809 1/20 0.36
SCD5 Q86SK9 1/20 0.36
KCNN4 O15554 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL7775657 1.00 RIPK1 (0.46) RIPK1EPHX1PDE5ACES2CES1
SCHEMBL7775690 0.82 EPHX1 (0.57) EPHX1CES2CES1CYP2C19KIF11
SCHEMBL7775691 0.82 EPHX1 (0.57) EPHX1CES2CES1CYP2C19KIF11
SCHEMBL7770852 0.81 RIPK1 (0.43) RIPK1EPHX1PDE5AL3MBTL1OPRK1
SCHEMBL7776122 0.81 RIPK1 (0.43) RIPK1EPHX1PDE5AL3MBTL1OPRK1
SCHEMBL7775675 0.80 EPHX1 (0.46) RIPK1EPHX1CES2CES1CYP2C19
SCHEMBL7764706 0.80 EPHX1 (0.56) RIPK1EPHX1L3MBTL1CYP2C19TSHR
SCHEMBL7764709 0.80 EPHX1 (0.56) RIPK1EPHX1L3MBTL1CYP2C19TSHR
SCHEMBL28637835 0.79 EPHX1 (0.45) RIPK1EPHX1CES2CES1L3MBTL1
SCHEMBL30349638 0.78 TSHR (0.45) EPHX1L3MBTL1OPRK1TSHR

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-1127885-A2 Optically active epoxypropionate derivatives, intermediates, and processes for their production Tosoh Corporation (JP) 2001-08-29 EP disclosed