SCHEMBL8580804

SCHEMBL8580804

CC(=O)c1cc([CH]c2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.50
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ HSD17B1 P14061 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ PRKCI P41743 1/20 0.32

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
SCHEMBL669554 0.83 CA5A (0.67) CA5ALMNAPKMMAPTHPGD
SCHEMBL10299515 0.82 CA5A (0.48) CA5APTGS1PTGS2LMNAMAPT
SCHEMBL21338765 0.80 CA5A (0.46) CA5APTGS1PTGS2LMNAMAPT
SCHEMBL3643300 0.77 CA5A (0.48) CA5APTGS1PTGS2LMNAMAPT
SCHEMBL11465197 0.77 MEN1 (0.49) PTGS1PTGS2PKMRAB9AKMT2A
SCHEMBL8580796 0.76 CA12 (0.48) CA5ALMNAMAPTHPGDSMN1; SMN2
SCHEMBL3028363 0.75 PTGS1 (0.47) CA5APTGS1PTGS2LMNAMAPT
SCHEMBL3028357 0.75 PTGS1 (0.47) CA5APTGS1PTGS2LMNAMAPT
SCHEMBL15426747 0.75 UNG (0.52) CA5APTGS1PTGS2LMNAPKM
SCHEMBL8583468 0.74 HPGD (0.52) LMNAMAPTHPGDRAB9AKMT2A

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-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 — — EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — EP disclosed
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