SCHEMBL4022907

SCHEMBL4022907

NC(=O)C(Cc1ccccc1)C1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
CCR1 P32246 5/20 0.43
SRR Q9GZT4 2/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CYP1A2 P05177 1/20 0.41
TACR1 P25103 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6265947 1.00 EPHX1 (0.46) EPHX1PLA2G10PLA2G2ACCR1SRR
SCHEMBL4180733 0.94 EPHX1 (0.51) EPHX1PLA2G10PLA2G2ACCR1SRR
SCHEMBL27832973 0.83 CPN1 (0.45) EPHX1PLA2G10PLA2G2ACCR1ALPI
SCHEMBL22610143 0.81 MFN2 (0.43) EPHX1LMNATDP1
SCHEMBL22610142 0.81 MFN2 (0.43) EPHX1LMNATDP1
SCHEMBL4156782 0.78 EPHX1 (0.43) EPHX1CCR1ALPIPKMPTGS1
SCHEMBL4156781 0.78 EPHX1 (0.43) EPHX1CCR1ALPIPKMPTGS1
SCHEMBL28164088 0.76 PPARG (0.46) EPHX1LMNA
SCHEMBL9816105 0.76 KCNA3 (0.41) EPHX1SRRALPIPKMPTGS1
SCHEMBL10450048 0.76 CYP1A2 (0.39) EPHX1SRRALPIPKMPTGS1

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-2066318-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
WO-2008034736-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed