SCHEMBL7984522

SCHEMBL7984522

CCCC1(c2ccc(-c3ccccc3)cc2)OC(=O)C(OCc2ccccc2)=C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.37
GSTP1 P09211 2/20 0.36
MMP2 P08253 3/20 0.36
MMP13 P45452 1/20 0.36
ADK P55263 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RIPK1 Q13546 1/20 0.35
MMP9 P14780 2/20 0.35
MCL1 Q07820 1/20 0.35
ABCB1 P08183 1/20 0.35
MAPT P10636 1/20 0.35
PTPN1 P18031 2/20 0.35
FFAR1 O14842 1/20 0.34
MMP3 P08254 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
SCHEMBL7987626 0.85 ACACB (0.35) MRGPRX4GSTP1MMP2MMP13RIPK1
SCHEMBL7984732 0.80 MMP2 (0.41) MRGPRX4GSTP1MMP2MMP13RIPK1
SCHEMBL7983512 0.79 GSTP1 (0.40) GSTP1MMP2MMP13CYP1A2CYP3A4
SCHEMBL7991411 0.71 MMP2 (0.42) MMP2MMP13CYP1A2CYP2C9CYP2C19
SCHEMBL7983389 0.71 LMNA (0.42) MMP2MMP13CYP1A2CYP3A4CYP2C19
SCHEMBL7987829 0.67 MAOB (0.38) MMP2MMP13CYP3A4SMN1; SMN2RIPK1
SCHEMBL6932161 0.64 MMP2 (0.35) MMP2MMP13CYP1A2CYP2C9CYP2C19
Bicarbonate SCHEMBL9638235 0.60 FFAR1 (0.71) GSTP1CYP1A2CYP2C19MCL1FFAR1
SCHEMBL23483029 0.59 LMNA (0.69) GSTP1CYP1A2CYP2C19SMN1; SMN2MCL1
SCHEMBL1096817 0.59 LMNA (0.69) GSTP1CYP1A2CYP2C19SMN1; SMN2MCL1

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 3 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