SCHEMBL4525849

SCHEMBL4525849

C=C(O)C(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.56
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
SRC P12931 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL12468637 0.79 HPGD (0.63) LMNAMAPK1HPGDCES2CES1
SCHEMBL2249346 0.79 HPGD (0.63) LMNAMAPK1HPGDCES2CES1
SCHEMBL13849535 0.79 HPGD (0.63) LMNAMAPK1HPGDCES2CES1
SCHEMBL4631540 0.77 LMNA (0.56) LMNAMAPK1HPGDCES2CES1
SCHEMBL10536611 0.77 LMNA (0.62) LMNAMAPK1HPGDCES2CES1
SCHEMBL10865453 0.77 LMNA (0.62) LMNAMAPK1HPGDCES2CES1
SCHEMBL2971437 0.75 HPGD (0.70) LMNAMAPK1HPGDCES2CES1
SCHEMBL1562538 0.75 HPGD (0.70) LMNAMAPK1HPGDCES2CES1
SCHEMBL13255670 0.75 HPGD (0.53) LMNAMAPK1HPGDCES2CES1
SCHEMBL5858513 0.75 HPGD (0.70) LMNAMAPK1HPGDCES2CES1

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
US-5541196-A ANTIPROTOZOA AGENTS INSTITUT FRANCAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPMENT EN COOPERATION (ORSTOM) (FR) 1996-07-30 US claimed
EP-3527573-B1 SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS GILEAD SCIENCES INC (US) 2020-08-12 EP disclosed
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090081590-A1 NEGATIVE RESIST COMPOSITION AND PROCESS FOR FORMING RESIST PATTERNS TOKYO OHKA KOGYO CO., LTD. (JP) 2009-03-26 US disclosed
US-5700802-A Furopyridine derivatives MERCK SHARP & DOHME, LTD. (GB) 1997-12-23 US disclosed
US-5681836-A Methanesulfonate salts of antipsychotic benzofuran derivatives MERCK, SHARP & DOHME, LTD. (GB) 1997-10-28 US disclosed
US-5665722-A Benzofuran derivatives as D4 receptor antagonists MERCK, SHARP & DOHME, LTD. (GB) 1997-09-09 US disclosed
EP-0757686-A1 BENZOFURAN DERIVATIVES AS D 4? RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-02-12 EP disclosed
WO-1995029911-A1 BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-09 WO disclosed