SCHEMBL7983478

SCHEMBL7983478

CCCCCSCc1ccccc1C#CCCC1OC(=O)C(O)=C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
CES2 O00748 1/20 0.35
TYR P14679 1/20 0.33
CDC25A P30304 7/20 0.33
CDC25B P30305 7/20 0.33
DUSP3 P51452 7/20 0.33
CDC25C P30307 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
SCHEMBL7990674 0.93 KDM4E (0.34) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL7983529 0.78 KDM4E (0.34) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL7985408 0.78 KDM4E (0.34) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL7990754 0.74 PTPN1 (0.40) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL7988278 0.74 PTPN1 (0.40) LMNAMAPTCYP2C9HSD17B10TDP1
SCHEMBL7972906 0.70 KDM4E (0.40) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL8116635 0.68 CES2 (0.51) LMNACYP1A2MAPTTDP1CES2
SCHEMBL8775172 0.67 CES2 (0.54) LMNACYP1A2MAPTTDP1CES2
SCHEMBL6934073 0.67 CES2 (0.54) LMNACYP1A2MAPTTDP1CES2
SCHEMBL8775369 0.67 CES2 (0.54) LMNACYP1A2MAPTTDP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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