SCHEMBL7444558

SCHEMBL7444558

CC1CCC(CC(CC(=O)N2CCOCC2)C(=O)N2C(=O)OC[C@@H]2C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.42
IL6ST P40189 5/20 0.40
STAT3 P40763 1/20 0.38
CTSK P43235 4/20 0.37
IDH1 O75874 1/20 0.36
CTSL P07711 3/20 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
SCHEMBL5760623 1.00 CTSS (0.42) CTSSIL6STSTAT3CTSKIDH1
SCHEMBL7445465 1.00 CTSS (0.42) CTSSIL6STSTAT3CTSKIDH1
SCHEMBL5760620 1.00 CTSS (0.42) CTSSIL6STSTAT3CTSKIDH1
SCHEMBL4717588 0.91 CTSS (0.47) CTSSCTSKCTSL
SCHEMBL7551846 0.77 IL6ST (0.39) CTSSIL6STSTAT3CTSKIDH1
SCHEMBL5755859 0.76 CTSS (0.52) CTSSCTSK
SCHEMBL5755864 0.76 CTSS (0.52) CTSSCTSK
SCHEMBL7439715 0.76 FKBP1A (0.47) IL6ST
SCHEMBL7327072 0.76 FKBP1A (0.47) IL6ST
SCHEMBL7439721 0.76 FKBP1A (0.47) IL6ST

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780514-A 2-(4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHOQUINONE OR SALT ADMINISTRATION GLAXO WELCOME INC. (US) 1998-07-14 US claimed
US-5856362-A PARASITICIDE; 2-(4-(4-CHLOROPHENYL)CYCLOHEXYL-3-HYDROXY-1,4-NAPHTHOQUINONE GLAXO WELLCOME INC. (US) 1999-01-05 US disclosed
US-5856362-A PARASITICIDE; 2-(4-(4-CHLOROPHENYL)CYCLOHEXYL-3-HYDROXY-1,4-NAPHTHOQUINONE GLAXO WELLCOME INC. (US) 1999-01-05 US disclosed
US-5780514-A 2-(4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHOQUINONE OR SALT ADMINISTRATION GLAXO WELCOME INC. (US) 1998-07-14 US disclosed
US-5780514-A 2-(4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHOQUINONE OR SALT ADMINISTRATION GLAXO WELCOME INC. (US) 1998-07-14 US disclosed
US-5698226-A CONTAINING LAMOTRIGINE, SWELLABLE CLAY, DISINTEGRATING AGENT WITHIN GRANULES OF TABLET GLAXO WELLCOME INC. (US) 1997-12-16 US disclosed