SCHEMBL7983529

SCHEMBL7983529

CCC/C=C\Cc1ccccc1C#CCCC1OC(=O)C(O)=C1O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.82 FFAR1 (0.32)
SCHEMBL7990674 0.80 KDM4E (0.34) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL7985408 0.79 KDM4E (0.34) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL7983478 0.78 KDM4E (0.37) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL7986964 0.77 KDM4E (0.35) KDM4E
SCHEMBL7973239 0.70 TOP1 (0.32) LMNAMAPT
SCHEMBL7990754 0.68 PTPN1 (0.40) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL8775295 0.65 TRPV1 (0.45) KDM4ELMNACYP3A4MAPTHSD17B10
SCHEMBL8775359 0.65 TRPV1 (0.45) KDM4ELMNACYP3A4MAPTHSD17B10
SCHEMBL6927981 0.65 MAPT (0.44) KDM4ELMNAMAPTTDP1

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
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US claimed
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 claimed
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 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