SCHEMBL6765320

SCHEMBL6765320

CC(C)(N)CCc1ccc(C(=O)CCCCc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PRNP P04156 1/20 0.45
RECQL P46063 1/20 0.45
DAGLA Q9Y4D2 1/20 0.45
FAAH O00519 8/20 0.44
DPP4 P27487 1/20 0.44
CES1 P23141 6/20 0.44
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
PLA2G4A P47712 1/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL3082998 0.89 TDP1 (0.46) TDP1POLBRXFP1ALDH1A1LMNA
SCHEMBL383586 0.89 TDP1 (0.46) TDP1POLBRXFP1ALDH1A1LMNA
SCHEMBL5166341 0.88 POLB (0.48) TDP1POLBRXFP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5170441 0.88 TDP1 (0.45) TDP1POLBRXFP1ALDH1A1LMNA
SCHEMBL385258 0.85 TDP1 (0.43) TDP1POLBRXFP1ALDH1A1LMNA
SCHEMBL5169422 0.85 POLB (0.47) TDP1POLBRXFP1ALDH1A1LMNA
Fumaric Acid SCHEMBL383978 0.84 POLB (0.42) TDP1POLBRXFP1ALDH1A1LMNA
SCHEMBL383831 0.84 S1PR4 (0.43) TDP1POLBRXFP1ALDH1A1LMNA
Maleic Acid SCHEMBL383976 0.84 POLB (0.42) TDP1POLBRXFP1ALDH1A1LMNA
SCHEMBL386525 0.84 S1PR4 (0.44) TDP1POLBRXFP1ALDH1A1LMNA

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-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed