SCHEMBL23979060

SCHEMBL23979060

COC(=O)[C@H](CNC(=O)NC1CCc2ccccc21)NC(=O)c1c(Cl)ccc(Nc2cccc(C(C)C)c2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.40
TAS1R3 Q7RTX0 6/20 0.39
TAS1R1 Q7RTX1 6/20 0.39
TAS1R2 Q8TE23 4/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNA5 P22460 1/20 0.36
EPHX2 P34913 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
BACE1 P56817 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL24803327 1.00 USP2 (0.43) USP2TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL26493531 1.00 USP2 (0.43) USP2TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL26493525 0.94 USP2 (0.43) USP2TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL23979045 0.93 ALDH1A1 (0.42) USP2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL30279393 0.93 ALDH1A1 (0.42) USP2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL23978619 0.93 ALDH1A1 (0.42) USP2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL26104284 0.93 ALDH1A1 (0.42) USP2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL26484841 0.87 EPHX2 (0.43) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL24803275 0.84 ALDH1A1 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL30279423 0.83 USP2 (0.48) USP2TSHRTAS1R3TAS1R1TAS1R2

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