SCHEMBL8417907

SCHEMBL8417907

C=CCc1cc(C(=O)OCCN(C)C)ccc1C#CC1C(O)C2CCN1CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.35
KDM4E B2RXH2 3/20 0.34
RAD52 P43351 2/20 0.34
POLB P06746 1/20 0.34
HTR7 P34969 2/20 0.34
FDFT1 P37268 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33
DRD4 P21917 1/20 0.33
ACHE P22303 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
NTSR1 P30989 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL8919905 0.89 FDFT1 (0.41) POLBFDFT1ALDH1A1MAPK1RAB9A
SCHEMBL8417805 0.87 FDFT1 (0.35) KDM4EFDFT1LMNAALDH1A1MAPT
SCHEMBL8920428 0.84 ALDH1A1 (0.36) KDM4EFDFT1LMNAALDH1A1
SCHEMBL8419682 0.80 FDFT1 (0.46) KDM4EFDFT1LMNAALDH1A1
SCHEMBL8419678 0.80 FDFT1 (0.39) FDFT1LMNAALDH1A1MAPK1
SCHEMBL8918777 0.77 TDP1 (0.37) POLBFDFT1ALDH1A1MAPK1DRD3
SCHEMBL8419593 0.77 FDFT1 (0.49) POLBFDFT1ALDH1A1MAPK1MAPT
SCHEMBL8968489 0.76 FDFT1 (0.61) FDFT1
SCHEMBL8421874 0.75 FDFT1 (0.39) FDFT1
SCHEMBL8419759 0.75 FDFT1 (0.44) FDFT1LMNAALDH1A1MAPK1KMT2A

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed