SCHEMBL7975312

SCHEMBL7975312

CN/C(=N\C(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SRD5A2 P31213 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NR1H4 Q96RI1 3/20 0.36
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
ELANE P08246 1/20 0.35
RXRG P48443 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 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
SCHEMBL7975315 1.00 MAPT (0.47) MAPTSRD5A2TP53TSHRCA1
SCHEMBL16808280 0.88 MIF (0.42) MAPTTSHRCA1CA2ELANE
SCHEMBL7985676 0.83 MAPT (0.31) MAPTELANE
SCHEMBL7985674 0.83 MAPT (0.31) MAPTELANE
SCHEMBL16808256 0.82 ELANE (0.59) MAPTTSHRCA2SMN1; SMN2ELANE
SCHEMBL7986483 0.81 CA1 (0.46) MAPTTSHRCA1CA2SMN1; SMN2
SCHEMBL7986484 0.81 CA1 (0.46) MAPTTSHRCA1CA2SMN1; SMN2
SCHEMBL7986748 0.79 MMP8 (0.48) MAPTCA1NR1H4EPHX2KMT2A
SCHEMBL7986750 0.79 MMP8 (0.48) MAPTCA1NR1H4EPHX2KMT2A
SCHEMBL24414259 0.73 MIF (0.47) MAPTTSHRCA1CA2SMN1; SMN2

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed