SCHEMBL7987374

SCHEMBL7987374

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
SRD5A2 P31213 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
ELANE P08246 1/20 0.33
RXRG P48443 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7987377 1.00 MAPT (0.42) MAPTSRD5A2TP53TSHRCA1
SCHEMBL8693305 0.87 MAPT (0.41) MAPTSRD5A2TP53TSHRCA1
SCHEMBL7992462 0.84
SCHEMBL7992464 0.84
SCHEMBL7988309 0.82 CA12 (0.44) MAPTTP53TSHRCA1CA2
SCHEMBL7988305 0.82 CA12 (0.44) MAPTTP53TSHRCA1CA2
SCHEMBL8692832 0.80 ALDH1A1 (0.39) TSHRCA1CA2ALDH1A1SMN1; SMN2
SCHEMBL8690278 0.79 HDAC3 (0.38) MAPTALDH1A1SMN1; SMN2HDAC3HDAC1
SCHEMBL9339393 0.76 NR1H4 (0.42) NR1H4EPHX2POLB
SCHEMBL15876020 0.75 MAPT (0.39) MAPTSRD5A2TP53TSHRCA1

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 4 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
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed