SCHEMBL23979059

SCHEMBL23979059

COC(=O)[C@H](CNC(=O)NC1CCc2ccccc21)NC(=O)c1c(Cl)ccc(NCCCc2ccccc2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
USP2 O75604 1/20 0.42
TAS1R3 Q7RTX0 6/20 0.40
TAS1R1 Q7RTX1 6/20 0.40
TAS1R2 Q8TE23 4/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.36
TAOK1 Q7L7X3 2/20 0.36
TAOK3 Q9H2K8 2/20 0.36
BACE1 P56817 1/20 0.36
KCNA5 P22460 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
SCHEMBL26494810 1.00 EPHX2 (0.54) EPHX2USP2TAS1R3TAS1R1TAS1R2
SCHEMBL24803329 1.00 EPHX2 (0.54) EPHX2USP2TAS1R3TAS1R1TAS1R2
SCHEMBL24805424 0.95 EPHX2 (0.49) EPHX2USP2TAS1R3TAS1R1TAS1R2
SCHEMBL30279322 0.95 EPHX2 (0.49) EPHX2USP2TAS1R3TAS1R1TAS1R2
SCHEMBL24804244 0.95 EPHX2 (0.49) EPHX2USP2TAS1R3TAS1R1TAS1R2
SCHEMBL23978664 0.95 EPHX2 (0.49) EPHX2USP2TAS1R3TAS1R1TAS1R2
SCHEMBL23978562 0.93 EPHX2 (0.58) EPHX2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL30279424 0.93 EPHX2 (0.58) EPHX2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL23978564 0.93 EPHX2 (0.58) EPHX2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL26106612 0.93 EPHX2 (0.58) EPHX2TAS1R3TAS1R1TAS1R2HTT

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed