SCHEMBL8635928

SCHEMBL8635928

CC1(C)CCC(=O)c2ccc(-c3ccccc3F)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
PGR P06401 3/20 0.42
HSD17B1 P14061 2/20 0.41
HSD11B1 P28845 2/20 0.40
TDP2 O95551 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CES1 P23141 2/20 0.38
PDK2 Q15119 1/20 0.37
ADORA1 P30542 1/20 0.37
DHODH Q02127 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL8633556 0.80 HSD17B1 (0.60) PARP1PARP2PTPRCPTPN1HRH3
SCHEMBL7503018 0.78 PGR (0.49) PARP1PARP2PTPRCPTPN1HRH3
SCHEMBL5750929 0.78 CYP2A6 (0.50) TDP2CES1
SCHEMBL8072264 0.77 HRH3 (0.54) PARP1PARP2PTPRCPTPN1HRH3
SCHEMBL8635876 0.77 HSD17B1 (0.56) PARP1PARP2PTPRCPTPN1HRH3
SCHEMBL8635273 0.74 PTPRC (0.46) PARP1PARP2PTPRCPTPN1HRH3
SCHEMBL8637686 0.71 PTPRC (0.49) PARP1PARP2PTPRCPTPN1HRH3
SCHEMBL8631353 0.71 PTPRC (0.56) PARP1PARP2PTPRCPTPN1HRH3
SCHEMBL8635759 0.69 PTPRC (0.53) PARP1PARP2PTPRCPTPN1HRH3
SCHEMBL7504001 0.69 MAOA (0.56) PARP1PARP2PTPRCPTPN1HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601191-B1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 1998-07-22 EP disclosed
EP-0601191-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1994-06-15 EP disclosed