SCHEMBL11659849

SCHEMBL11659849

CCCOC(=O)C(CC(=O)c1ccc2c(c1)SCc1ccccc1C2=O)C(=O)OCCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.49
▸ MAPK14 Q16539 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ ACHE P22303 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
SCHEMBL11566798 0.89 AKR1B1 (0.52) AKR1B1MAPK14ALDH1A1MAPTLMNA
SCHEMBL11566488 0.82 MEN1 (0.34) AKR1B1ALDH1A1MAPTLMNANPC1
SCHEMBL11568284 0.80 AKR1B1 (0.38) AKR1B1ALDH1A1MAPTLMNANPC1
SCHEMBL11564650 0.80 CA12 (0.40) AKR1B1ALDH1A1MAPTLMNANPC1
SCHEMBL11564321 0.78 AKR1B1 (0.47) AKR1B1MAPK14ALDH1A1LMNACTNNB1
SCHEMBL11567792 0.78 AKR1B1 (0.52) AKR1B1MAPK14ALDH1A1MAPTCTNNB1
SCHEMBL11659196 0.78 AKR1B1 (0.53) AKR1B1MAPK14ALDH1A1MAPTLMNA
SCHEMBL11820581 0.77 AKR1B1 (0.68) AKR1B1MAPK14ALDH1A1MAPTLMNA
SCHEMBL11566471 0.77 AKR1B1 (0.60) AKR1B1MAPK14ALDH1A1MAPTTTR
SCHEMBL11567084 0.76 AKR1B1 (0.54) AKR1B1MAPK14ALDH1A1MAPTNPC1

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
US-4130654-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-12-19 — — US disclosed
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