SCHEMBL23949224

SCHEMBL23949224

COC(=O)CC(C)NC(=O)C1(C)CN(c2cc(F)cc(F)c2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
REN P00797 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
METAP2 P50579 1/20 0.31
ADAMTS4 O75173 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23949223 1.00 TSHR (0.34) TSHRRENALDH1A1MAPTHTT
SCHEMBL23925287 0.89 ITGB3 (0.36) TSHRRENMETAP2ADAMTS5
SCHEMBL23925288 0.89 ITGB3 (0.36) TSHRRENMETAP2ADAMTS5
SCHEMBL23949222 0.72 SMN1; SMN2 (0.38) ALDH1A1METAP2ADAMTS5GAA
SCHEMBL23948594 0.71 OPRM1 (0.37) TSHRMETAP2ADAMTS5MEN1GAA
SCHEMBL24804103 0.68 CA1 (0.32) TSHRMEN1GAAKMT2A
SCHEMBL24804100 0.68 CA1 (0.32) TSHRMEN1GAAKMT2A
SCHEMBL24471394 0.67 CACNA1H (0.31) ALDH1A1HTT
SCHEMBL24471393 0.67 CACNA1H (0.31) ALDH1A1HTT
SCHEMBL30291841 0.64 KMT2A (0.37) ALDH1A1MAPTHTTMEN1KMT2A

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-2021209268-A1 BETA-LACTAMS AND THEIR USE AS HERBICIDES BASF SE (DE) 2021-10-21 WO disclosed