SCHEMBL7983512

SCHEMBL7983512

O=C1OC(c2ccccc2)(c2ccc(-c3ccccc3)cc2)C(O)=C1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.40
MCL1 Q07820 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
TYMS P04818 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ABCB1 P08183 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL7983389 0.93 LMNA (0.42) MAPTLMNAMEN1ALDH1A1ESR1
SCHEMBL7987829 0.84 MAOB (0.38) MAPTLMNAMEN1ALDH1A1ESR1
SCHEMBL7988507 0.83 MMP2 (0.41) GSTP1MCL1MAPTABCB1FFAR1
SCHEMBL7984732 0.83 MMP2 (0.41) GSTP1MCL1MAPTABCB1FFAR1
SCHEMBL7984522 0.79 MRGPRX4 (0.37) GSTP1MCL1MAPTCYP3A4SMN1; SMN2
SCHEMBL7987626 0.78 ACACB (0.35) GSTP1MCL1MAPTABCB1FFAR1
SCHEMBL6932601 0.76 CFTR (0.43) MCL1MAPTLMNAMEN1ALDH1A1
SCHEMBL7991411 0.76 MMP2 (0.42) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL6026464 0.71 EGFR (0.43) MAPTLMNAMEN1ALDH1A1ESR1
SCHEMBL6026268 0.69 CFTR (0.39) MCL1MAPTLMNAMEN1ALDH1A1

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