SCHEMBL7972906

SCHEMBL7972906

O=C1OC(CCC#Cc2ccccc2)C(O)=C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
GRIN2B Q13224 1/20 0.32
GAA P10253 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7983531 0.78 FFAR1 (0.32) FFAR1FFAR4
SCHEMBL7990674 0.72 KDM4E (0.34) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7985408 0.72 KDM4E (0.34) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7990754 0.72 PTPN1 (0.40) KDM4EBLMLMNAPOLBL3MBTL1
SCHEMBL8775595 0.69 KDM4E (0.44) KDM4ELMNAL3MBTL1
SCHEMBL8775269 0.69 KDM4E (0.44) KDM4ELMNAL3MBTL1
SCHEMBL6933176 0.69 KDM4E (0.45) KDM4EFFAR1FFAR4
SCHEMBL2794781 0.68 MAPT (0.46) KDM4ELMNAL3MBTL1
SCHEMBL6931747 0.68 ADRA1A (0.42) KDM4ECYP1A2THPOPMP22LMNA
SCHEMBL7973126 0.68 KDM4E (0.40) KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912579-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-05-06 EP claimed
WO-1998001450-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1998-01-15 WO claimed
US-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 US disclosed
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO disclosed