SCHEMBL7972995

SCHEMBL7972995

CC1(c2ccc(Cl)cc2)OC(=O)C(OCc2ccccc2)=C1O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 6/20 0.38
MAOA P21397 3/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PRKCA P17252 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL7991411 0.91 MMP2 (0.42) MMP2MMP13MAOBCA9POLB
SCHEMBL7988507 0.88 MMP2 (0.41) MMP2MMP13MAOBCA9RIPK1
SCHEMBL7984732 0.88 MMP2 (0.41) MMP2MMP13MAOBCA9RIPK1
SCHEMBL7984804 0.84 MMP2 (0.38) MMP2MMP13MAOBCA9RIPK1
SCHEMBL7984729 0.74 CHRNA1 (0.39) MMP13
SCHEMBL6026477 0.74 CHRNA1 (0.39) MMP13
SCHEMBL7983389 0.74 LMNA (0.42) MMP2MMP13MAOBMAOACA9
SCHEMBL7983512 0.71 GSTP1 (0.40) MMP2MMP13
SCHEMBL7969034 0.71 ALDH1A1 (0.38)
SCHEMBL7593441 0.71 ALDH1A1 (0.38)

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