SCHEMBL7117533

SCHEMBL7117533

Cc1ccc(C=C(O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=Cc2ccc(C)c(C)c2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGS1 P23219 5/20 0.32
▸ PTGS2 P35354 5/20 0.32
▸ ALOX5 P09917 4/20 0.32
▸ TTR P02766 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 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
SCHEMBL34956 0.96 TUBB1 (0.37) TUBB1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL29373037 0.96 TUBB1 (0.37) TUBB1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL20599343 0.96 TUBB1 (0.37) TUBB1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL28385425 0.87 MAPT (0.34) TUBB1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL376374 0.87 MAPT (0.34) TUBB1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL20505218 0.86 PDE4A (0.36) TUBB1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL177517 0.86 PDE4A (0.36) TUBB1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL5229721 0.84 GABRA1 (0.46) TUBB1PTGS1PTGS2ALOX5
SCHEMBL28684322 0.84 GABRA1 (0.46) TUBB1PTGS1PTGS2ALOX5
Water SCHEMBL28585861 0.83 PDE4A (0.34) TUBB1TDP1SMN1; SMN2LMNAMAPT

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
EP-0945452-B1 SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS NEW JAPAN CHEM CO LTD (JP) 2003-11-19 — — EP disclosed
US-6187842-B1 REACTING SORBITOL OR XYLITOL WITH BENZALDEHYE IN PRESENCE OF ACID CATALYST NEW JAPAN CHEMICAL CO., LTD. (JP) 2001-02-13 — — US disclosed
EP-0945452-A1 SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS NEW JAPAN CHEMICAL CO.,LTD. (JP) 1999-09-29 — — EP disclosed
Send feedback