SCHEMBL7302415

SCHEMBL7302415

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SRD5A2 P31213 3/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
RARA P10276 2/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 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
SCHEMBL15278592 0.85 NR4A1 (0.39) MAPTNR4A1NR4A2NR4A3CA1
SCHEMBL7316722 0.83 ALDH1A1 (0.46) MAPTTSHRCA1CA2ALDH1A1
SCHEMBL7302578 0.77 KMT2A (0.55) MAPTALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL7312810 0.76 NR4A1 (0.56) MAPTNR4A1NR4A2NR4A3TSHR
SCHEMBL14131630 0.76 ALDH1A1 (0.44) MAPTNR4A1NR4A2NR4A3TP53
SCHEMBL5694711 0.76 ALDH1A1 (0.44) MAPTNR4A1NR4A2NR4A3TP53
SCHEMBL5694743 0.76 ALDH1A1 (0.44) MAPTNR4A1NR4A2NR4A3TP53
SCHEMBL26750722 0.75 CYP2A6 (0.47) TDP1ELANE
SCHEMBL29119466 0.75 NR4A1 (0.63) NR4A1NR4A2NR4A3TP53TSHR
SCHEMBL4579922 0.75 MAPT (0.54) MAPTTP53CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656349-B1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO (JP) 1998-04-08 EP disclosed
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5514713-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0656349-A1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed