SCHEMBL22295484

SCHEMBL22295484

CC(C)(C)OC(=O)CCCCCOCCCCCOCCN

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.38
DGKA P23743 1/20 0.35
CYP1A2 P05177 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
PAOX Q6QHF9 1/20 0.34
TLR2 O60603 3/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL22295492 1.00 EPHX2 (0.39) EPHX2GAADGKACYP1A2HDAC1
SCHEMBL22276632 0.98 EPHX2 (0.38) EPHX2GAADGKACYP1A2HDAC1
SCHEMBL21071406 0.93 PAOX (0.42) EPHX2GAADGKACYP1A2HDAC1
SCHEMBL865615 0.93 CYP1A2 (0.37) EPHX2CYP1A2HDAC1HDAC2HDAC6
SCHEMBL25191851 0.91 CYP1A2 (0.36) EPHX2CYP1A2HDAC1HDAC2HDAC6
SCHEMBL31697438 0.91 CYP1A2 (0.36) EPHX2CYP1A2HDAC1HDAC2HDAC6
SCHEMBL31250921 0.91 CYP1A2 (0.40) EPHX2GAADGKACYP1A2HDAC1
SCHEMBL15130700 0.91 CYP1A2 (0.36) EPHX2CYP1A2HDAC1HDAC2HDAC6
SCHEMBL29167439 0.91 CYP1A2 (0.36) EPHX2CYP1A2HDAC1HDAC2HDAC6
SCHEMBL16329744 0.90 CYP1A2 (0.32) EPHX2GAACYP1A2TLR2

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-3099683-B1 QUINONE-MASKED PROBES AS LABELING REAGENTS FOR CELL UPTAKE MEASUREMENTS PROMEGA CORP (US) 2020-08-05 EP disclosed