SCHEMBL27734342

SCHEMBL27734342

COC(=O)CC(N)(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 1/20 0.49
SRD5A2 P31213 1/20 0.40
MAPT P10636 3/20 0.39
NR1H4 Q96RI1 3/20 0.39
EPHX2 P34913 2/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
NR4A2 P43354 1/20 0.38
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL27734340 0.92 MEN1 (0.51) MEN1CYP1A2KMT2ASRD5A2MAPT
SCHEMBL1824580 0.86 CYP3A4 (0.38) LMNAALDH1A1CA1CA2MAPK1
SCHEMBL1823948 0.80 CA2 (0.35) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1827773 0.78 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3503452 0.77 SRD5A2 (0.44) MEN1CYP1A2KMT2ASRD5A2MAPT
SCHEMBL27521467 0.76 SRD5A2 (0.49) MEN1CYP1A2KMT2ASRD5A2MAPT
SCHEMBL1020012 0.76 SRD5A2 (0.49) MEN1CYP1A2KMT2ASRD5A2MAPT
SCHEMBL1147825 0.75 CA1 (0.44) MEN1KMT2AMAPTNR1H4EPHX2
SCHEMBL27477488 0.75 EPHX2 (0.37) MEN1CYP1A2KMT2AMAPTEPHX2
SCHEMBL3525214 0.74 ESR1 (0.44) MEN1CYP1A2KMT2ALMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296904-A Amide derivatives as kinase inhibitors DEVGEN NV (BE) 2008-10-29 CN disclosed
CN-101248046-A Amide derivatives as kinase inhibitors DEVGEN NV (BE) 2008-08-20 CN disclosed