SCHEMBL7983449

SCHEMBL7983449

CCCC/C=C\c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
PDE5A O76074 1/20 0.40
TLR8 Q9NR97 1/20 0.36
OXER1 Q8TDS5 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2D6 P10635 1/20 0.33
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
FAAH O00519 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL15051242 1.00 APP (0.41) APPCYSLTR2CYSLTR1PDE5ATLR8
SCHEMBL7983453 1.00 APP (0.41) APPCYSLTR2CYSLTR1PDE5ATLR8
SCHEMBL30375126 1.00 APP (0.41) APPCYSLTR2CYSLTR1PDE5ATLR8
SCHEMBL4897359 0.81 APP (0.36) APPCYP3A4CYP2C9TSHRALDH1A1
SCHEMBL6046925 0.80 CYSLTR2 (0.50) CYSLTR2CYSLTR1PDE5ATLR8SOAT2
SCHEMBL10324102 0.80 APP (0.46) APPTLR8
SCHEMBL29528360 0.80 APP (0.46) APPTLR8
SCHEMBL257121 0.80 APP (0.46) APPTLR8
SCHEMBL20524537 0.79 PDE5A (0.44) CYSLTR2CYSLTR1PDE5ATLR8OXER1
SCHEMBL27431004 0.79 PDE5A (0.44) CYSLTR2CYSLTR1PDE5ATLR8OXER1

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