SCHEMBL8631353

SCHEMBL8631353

O=C1CCc2ccc(-c3ccccc3F)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.56
PTPN1 P18031 1/20 0.56
PARP1 P09874 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PBRM1 Q86U86 1/20 0.47
HSD17B1 P14061 2/20 0.45
BRD4 O60885 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PGR P06401 2/20 0.43
ACMSD Q8TDX5 1/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CES1 P23141 1/20 0.41
PDK2 Q15119 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7504001 0.90 MAOA (0.56) PTPRCPTPN1PARP1PARP2PBRM1
SCHEMBL8635759 0.90 PTPRC (0.53) PTPRCPTPN1PARP1PARP2PBRM1
SCHEMBL8633556 0.87 HSD17B1 (0.60) PTPRCPTPN1PARP1PARP2HSD17B1
SCHEMBL7180348 0.79 MEN1 (0.56) PBRM1HSD17B1BRD4CYP2A6MAOA
SCHEMBL8072264 0.78 HRH3 (0.54) PTPRCPTPN1PARP1PARP2HSD17B1
SCHEMBL8635876 0.78 HSD17B1 (0.56) PTPRCPTPN1PARP1PARP2HSD17B1
SCHEMBL16821228 0.77 PARP10 (0.52) PTPN1PBRM1HSD17B1BRD4HRH3
SCHEMBL8632720 0.76 PTPRC (0.48) PTPRCPTPN1PARP1PARP2HRH3
SCHEMBL8636444 0.74 PARP1 (0.48) PTPRCPTPN1PARP1PARP2HRH3
SCHEMBL8636464 0.74 PTPRC (0.46) PTPRCPTPN1PARP1PARP2HRH3

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
EP-0601191-B1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 1998-07-22 EP disclosed
US-5371225-A Immunosuppressants KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-06 US disclosed
EP-0601191-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1994-06-15 EP disclosed