SCHEMBL8067775

SCHEMBL8067775

COC(=O)C1C(C(=O)OC)C1c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.82
TSHR P16473 2/20 0.60
ATM Q13315 1/20 0.59
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HDAC4 P56524 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
SLC6A3 Q01959 2/20 0.51
CYP2D6 P10635 1/20 0.50
PPARG P37231 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL8067771 1.00 POLB (0.82) POLBTSHRATMALDH1A1TP53
SCHEMBL14225120 0.96 POLB (0.89) POLBTSHRATMALDH1A1TP53
SCHEMBL19355164 0.96 POLB (0.89) POLBTSHRATMALDH1A1TP53
SCHEMBL16869915 0.90 POLB (1.00) POLBTSHRATMALDH1A1HTT
SCHEMBL16866274 0.90 POLB (1.00) POLBTSHRATMALDH1A1HTT
SCHEMBL16869924 0.90 POLB (1.00) POLBTSHRATMALDH1A1HTT
SCHEMBL16870078 0.90 POLB (1.00) POLBTSHRATMALDH1A1HTT
SCHEMBL19201560 0.86 POLB (0.78) POLBTSHRATMALDH1A1TP53
SCHEMBL15769078 0.83 POLB (0.70) POLBTSHRATMALDH1A1TP53
SCHEMBL15783737 0.82 POLB (0.68) POLBTSHRATMALDH1A1TP53

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-6096755-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-5908844-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed
US-5703091-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed