SCHEMBL14606015

SCHEMBL14606015

CCCCCCCOC(=O)[C@@H](C)c1ccc2cc(CO)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.49
▸ AKR1C2 P52895 2/20 0.49
▸ PTGS2 P35354 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL13109319 0.99 AKR1C3 (0.50) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL11724960 0.91 AKR1C3 (0.60) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL13483546 0.88 AKR1C3 (0.49) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL13089879 0.87 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL12913074 0.87 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL13089790 0.85 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL13730685 0.85 PTGS2 (0.47) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL14605797 0.85 PTGS2 (0.46) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL15834949 0.84 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2TDP1L3MBTL1
SCHEMBL10729842 0.84 PTGS2 (0.62) AKR1C3AKR1C2PTGS2TDP1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1526839-B1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX SA (FR) 2007-03-14 — — EP disclosed
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