SCHEMBL7403265

SCHEMBL7403265

CC(C)(C)OC(=O)NCc1ccc(C(=O)O)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.49
NR1H4 Q96RI1 4/20 0.48
HDAC1 Q13547 2/20 0.45
PTGER4 P35408 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
PLEC Q15149 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4A O75164 1/20 0.42
NAMPT P43490 1/20 0.42
KCNA5 P22460 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7665459 0.89 ALOX15 (0.46) EPHX2NR1H4HDAC1MAPTKDM4E
SCHEMBL15862351 0.87 EPHX2 (0.51) EPHX2NR1H4HDAC1MAPTHDAC10
SCHEMBL1495979 0.85 EPHX2 (0.64) EPHX2NR1H4HDAC1MAPTALDH1A1
SCHEMBL27350397 0.85 HDAC1 (0.42) EPHX2NR1H4HDAC1MAPTKDM4E
SCHEMBL13385350 0.85 EPHX2 (0.47) EPHX2NR1H4HDAC1HDAC10HDAC6
SCHEMBL6389333 0.84 EPHX2 (0.46) EPHX2NR1H4HDAC1MAPTHDAC10
SCHEMBL17059395 0.84 NR1H4 (0.48) EPHX2NR1H4HDAC1MAPTHDAC10
SCHEMBL1346036 0.84 EPHX2 (0.64) EPHX2NR1H4ALDH1A1HDAC10HDAC6
SCHEMBL2446141 0.84 EPHX2 (0.46) EPHX2NR1H4HDAC1MAPTALDH1A1
SCHEMBL1495902 0.84 EPHX2 (0.64) EPHX2NR1H4HDAC1MAPTHTT

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-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed
EP-0910563-A4 1999-04-28 EP disclosed
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 WO disclosed