SCHEMBL8637686

SCHEMBL8637686

CC1CC(=O)c2ccc(-c3ccccc3F)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
HRH3 Q9Y5N1 1/20 0.43
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
STAT3 P40763 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
GRM2 Q14416 1/20 0.40
PGR P06401 3/20 0.39
ADORA1 P30542 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
CREBBP Q92793 3/20 0.38
OPRD1 P41143 1/20 0.38
HSD17B1 P14061 1/20 0.38
BRD4 O60885 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDK2 Q15119 1/20 0.37
GRM5 P41594 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
SCHEMBL8635273 0.88 PTPRC (0.46) PTPRCPTPN1HRH3TNKSTNKS2
SCHEMBL8633556 0.77 HSD17B1 (0.60) PTPRCPTPN1HRH3TNKSTNKS2
SCHEMBL15153883 0.77 ACHE (0.49) STAT3
SCHEMBL1699487 0.76 ACHE (0.57) STAT3CREBBPBRD4GRM5
SCHEMBL8634486 0.75 OPRD1 (0.47) PTPRCPTPN1HRH3TNKSTNKS2
SCHEMBL8072264 0.75 HRH3 (0.54) PTPRCPTPN1HRH3PARP1PARP2
SCHEMBL8635876 0.75 HSD17B1 (0.56) PTPRCPTPN1HRH3PARP1PARP2
SCHEMBL1699495 0.72 ACHE (0.47) STAT3GRM5
SCHEMBL8635928 0.71 PARP1 (0.48) PTPRCPTPN1HRH3TNKSTNKS2
SCHEMBL7510849 0.70 PTPRC (0.48) PTPRCPTPN1HRH3TNKSTNKS2

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