SCHEMBL4644144

SCHEMBL4644144

COc1cc(/C=C/C=C/C(=O)O)cc(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.78
ALDH1A1 P00352 4/20 0.78
HPGD P15428 3/20 0.78
HTR1A P08908 2/20 0.78
HSD17B10 Q99714 2/20 0.78
HTR2C P28335 1/20 0.78
ABCB1 P08183 2/20 0.65
GAA P10253 2/20 0.63
HTT P42858 1/20 0.63
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55

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
SCHEMBL5573107 1.00 KDM4E (0.78) KDM4EALDH1A1HPGDHTR1AHSD17B10
SCHEMBL25308221 0.90 KDM4E (0.64) KDM4EALDH1A1HPGDHTR1AHSD17B10
SCHEMBL9247970 0.90 KDM4E (0.63) KDM4EALDH1A1HPGDHTR1AHSD17B10
SCHEMBL9247967 0.90 KDM4E (0.63) KDM4EALDH1A1HPGDHTR1AHSD17B10
Sinapic Acid Methyl Ether SCHEMBL207442 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHTR1AHSD17B10
Sinapic Acid Methyl Ether SCHEMBL207441 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHTR1AHSD17B10
SCHEMBL4651382 0.87 PKM (0.78) KDM4EALDH1A1HPGDHTR1AHSD17B10
SCHEMBL5573125 0.86 KDM4E (0.59) KDM4EALDH1A1HPGDHTR1AHSD17B10
SCHEMBL5573123 0.86 KDM4E (0.59) KDM4EALDH1A1HPGDHTR1AHSD17B10
Sinapic Acid Methyl Ether SCHEMBL9848210 0.86 KDM4E (0.96) KDM4EALDH1A1HPGDHTR1AHSD17B10

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61093171-A None JP disclosed
JP-61072773-A None JP disclosed
WO-2023131362-A1 PHENYLPROPANOID DERIVATIVES USTAV EXPERIMENTALNI BOTANIKY AV ČR, V. V. I. (CZ) 2023-07-13 WO disclosed
EP-2519511-B1 NOVEL PIPERINE DERIVATIVES AS GABA-A RECEPTORS MODULATORS Universität Wien (AT) 2015-12-16 EP disclosed
WO-2011080313-A1 NOVEL PIPERINE DERIVATIVES AS GABA - A RECEPTORS MODULATORS Universität Wien (AT) 2011-07-07 WO disclosed
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
US-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
US-6645957-B2 Useful in preventing and treating allergic immunological diseases; treating asthma, atopic dermatitis, allergic rhinitis, inflammatory large bowel disease, contact dermatitis KOWA CO., LTD. (JP) 2003-11-11 US disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP disclosed
EP-0236227-B1 NITRATE DERIVATIVES AND THEIR USE AS VASODILATORS TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1989-12-13 EP disclosed
US-4792553-A TREATMENT OF CARDIOVASCULAR AND CEREBROVASCULAR DISORDERS TERUMO KABUSHIKI KAISHA (JP) 1988-12-20 US disclosed
EP-0175331-B1 PIPERAZINE DERIVATIVES TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1988-11-17 EP disclosed
US-4780560-A Nitrate derivatives and vasodilators containing the same TERUMO CORPORATION (JP) 1988-10-25 US disclosed
EP-0236227-A1 Nitrate derivatives and their use as vasodilators TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1987-09-09 EP disclosed
US-4656172-A CONTROLLING OR PREVENTING CEREBRAL, CORONARY OR PERIPHIPHERAL VASCULAR DISORDER TERUMO KABUSHIKI KAISHA (JP) 1987-04-07 US disclosed
JP-S6193171-A HOMOPIPERAZINE DERIVATIVE AND VASODILATOR CONTAINING SAME TERUMO CORP 1986-05-12 JP disclosed
JP-S6172773-A PIPERAZINE DERIVATIVE AND VASODILATOR CONTAINING IT TERUMO CORP 1986-04-14 JP disclosed
EP-0175331-A1 Piperazine Derivatives TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1986-03-26 EP disclosed