SCHEMBL7305490

SCHEMBL7305490

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.45
EPHX2 P34913 1/20 0.45
PPARG P37231 9/20 0.44
PPARA Q07869 9/20 0.44
PPARD Q03181 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.40
SRD5A2 P31213 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CA2 P00918 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
SCHEMBL5731734 0.84 LOXL2 (0.49) PPARGPPARAPPARD
SCHEMBL617014 0.83 MAPT (0.52) NR1H4EPHX2PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL5846568 0.83 LOXL2 (0.47) PPARGPPARAPPARD
SCHEMBL20713777 0.83 CYP4A11 (0.47) PPARGPPARAPPARDCA2
SCHEMBL20713748 0.82 PPARG (0.41) PPARGPPARAPPARDCA2HDAC1
SCHEMBL7158402 0.82 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL8382918 0.81 ATM (0.48) NR1H4EPHX2ITGB3ITGA2BCA2
SCHEMBL27994504 0.81 SMN1; SMN2 (0.50) NR1H4EPHX2PPARGPPARAITGB3
SCHEMBL15149335 0.80 MIF (0.48) PPARGPPARAPPARDCA2
SCHEMBL7438712 0.79 ADRB2 (0.40) EPHX2PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561112-A ADMINISTERING SMALL SYNTHETIC PEPTIDES(SIMILAR TO GLYCINE-ASPARTIC ACID) TO SUPPRESS THROMBOSIS SANDOZ LTD. (CH) 1996-10-01 US disclosed
EP-0560730-B1 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD (CH) 1996-09-11 EP disclosed
EP-0560730-A2 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD. (CH) 1993-09-15 EP disclosed