SCHEMBL24033741

SCHEMBL24033741

CC(CC(=O)OC(C)(C)C)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.44
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.40
EPHX2 P34913 1/20 0.40
MLYCD O95822 7/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BTK Q06187 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 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
SCHEMBL24033578 1.00 EPHX1 (0.44) EPHX1GAACYP2D6EPHX2MLYCD
SCHEMBL1204076 0.83 EPHX2 (0.47) EPHX1EPHX2GLAHPGDATM
SCHEMBL27704751 0.82 EPHX1 (0.41) EPHX1GAAEPHX2HDAC4HDAC1
SCHEMBL27685793 0.82 EPHX1 (0.41) EPHX1GAAEPHX2HDAC4HDAC1
SCHEMBL24033564 0.82 EPHX1 (0.41) EPHX1GAACYP2D6EPHX2HDAC4
SCHEMBL24034131 0.82 EPHX1 (0.41) EPHX1GAACYP2D6EPHX2HDAC4
SCHEMBL19744864 0.82 EPHX1 (0.43) EPHX1GAACYP2D6EPHX2HDAC4
SCHEMBL10825239 0.82 EPHX1 (0.43) EPHX1GAACYP2D6EPHX2HDAC4
SCHEMBL1204052 0.82 EPHX2 (0.45) EPHX1GAAEPHX2HPGDATM
SCHEMBL26529447 0.81 EPHX1 (0.41) EPHX1CYP2D6EPHX2HPGDATM

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
WO-2021231892-A1 CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF ALGEN BIOTECHNOLOGIES, INC. (US) 2021-11-18 WO disclosed