SCHEMBL7316713

SCHEMBL7316713

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NOTUM Q6P988 1/20 0.43
PTPN1 P18031 1/20 0.43
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
LMNA P02545 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
SCHEMBL7316708 1.00 ALDH1A1 (0.51) ALDH1A1CA1CA2TDP1CA12
SCHEMBL7302409 0.84 ALDH1A1 (0.53) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL7302403 0.84 ALDH1A1 (0.53) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL1306293 0.83 ALDH1A1 (0.46) ALDH1A1CA1CA2TDP1CA12
SCHEMBL1306294 0.83 ALDH1A1 (0.46) ALDH1A1CA1CA2TDP1CA12
SCHEMBL5606469 0.81 ALDH1A1 (0.50) ALDH1A1CA1CA2CA12CA7
SCHEMBL27762722 0.81 ALDH1A1 (0.50) ALDH1A1CA1CA2TDP1CA12
SCHEMBL31135564 0.79 KDM4E (0.44) ALDH1A1TDP1MAPTRARBRARG
SCHEMBL30394849 0.79 KDM4E (0.44) ALDH1A1TDP1MAPTRARBRARG
SCHEMBL8184665 0.79 ALDH1A1 (0.59) ALDH1A1CA1CA2TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901653-A Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-12 CN disclosed
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