SCHEMBL20201865

SCHEMBL20201865

Fc1ccc2c(c1OCC1CC1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
PARP10 Q53GL7 2/20 0.33
PARP15 Q460N3 1/20 0.33
CXCR2 P25025 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRA2 P47869 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL20206761 0.77 FEN1 (0.36) HTR2AALOX5APFEN1PARP10PARP15
SCHEMBL20376466 0.77 FEN1 (0.36) HTR2AALOX5APFEN1PARP10PARP15
SCHEMBL21533978 0.74 FEN1 (0.37) ALOX5APFEN1
SCHEMBL21325344 0.74 ALOX5AP (0.34) HTR2AALOX5APFEN1
SCHEMBL21325048 0.74 ALOX5AP (0.34) HTR2AALOX5APFEN1
SCHEMBL20190174 0.73 S1PR1 (0.39) HTR2AALOX5APFEN1
SCHEMBL20201864 0.73 KDM4E (0.42) ALOX5APFEN1PARP10PARP15
SCHEMBL20204881 0.73 ALOX5AP (0.35) HTR2AALOX5APFEN1
SCHEMBL21325054 0.73 ALOX5AP (0.34) HTR2AALOX5APFEN1PARP10
SCHEMBL21690525 0.72 ALOX5AP (0.32) ALOX5APFEN1

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed