SCHEMBL9308665

SCHEMBL9308665

OCCc1ccccc1-c1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.52
PDCD1 Q15116 6/20 0.52
PTPRC P08575 1/20 0.50
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
PTGS2 P35354 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
GAPDH P04406 1/20 0.43
PRKCZ Q05513 1/20 0.43
BCL2L1 Q07817 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL7040631 0.84 TAAR1 (0.54) CD274PDCD1PTPRCGABRA1GABRB2
SCHEMBL26613458 0.78 PTPRC (0.53) CD274PDCD1PTPRCGABRA1GABRB2
SCHEMBL6048484 0.77 GABRA1 (0.49) CD274PDCD1PTPRCGABRA1GABRB2
SCHEMBL27466656 0.77 BCL2L1 (0.59) CD274PDCD1PTPRCGABRA1GABRB2
Hydrochloric Acid SCHEMBL6048595 0.76 GABRA1 (0.48) CD274PDCD1PTPRCGABRA1GABRB2
SCHEMBL31366955 0.73 PTPRC (0.55) PTPRCNPC1ALDH1A1MAPTRAB9A
SCHEMBL3597253 0.73 PTPRC (0.55) CD274PDCD1PTPRCGABRA1GABRB2
SCHEMBL5282347 0.73 PTPRC (0.55) CD274PDCD1PTPRCGABRA1GABRB2
SCHEMBL395611 0.73 PTPRC (0.55) PTPRCNPC1ALDH1A1MAPTRAB9A
SCHEMBL429540 0.73 DPP4 (0.58) CD274PDCD1ALDH1A1BCL2L1KMT2A

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-5292901-A Benzodioxole derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
EP-0281098-B1 BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS Eisai Co., Ltd. (JP) 1992-11-25 EP disclosed
EP-0281098-A1 Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments Eisai Co., Ltd. (JP) 1988-09-07 EP disclosed