SCHEMBL7932739

SCHEMBL7932739

CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2c(ccc3ccccc23)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.38
CTSK P43235 4/20 0.37
IDO1 P14902 3/20 0.37
TDO2 P48775 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
PARP1 P09874 1/20 0.37
NAAA Q02083 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSL P07711 1/20 0.35

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
SCHEMBL7930391 0.88 RIPK1 (0.37) RIPK1CTSKIDO1TDO2CA1
SCHEMBL8332959 0.84 RIPK1 (0.49) RIPK1IDO1TDO2CA1CA2
SCHEMBL7795967 0.81 RIPK1 (0.42) RIPK1IDO1TDO2CA1CA2
SCHEMBL8331733 0.81 RIPK1 (0.42) RIPK1IDO1TDO2CA1CA2
SCHEMBL7794597 0.78 RIPK1 (0.40) RIPK1
SCHEMBL8713363 0.76 CCKBR (0.36) RIPK1IDO1
SCHEMBL7923932 0.75 NAAA (0.35) CTSKPARP1NAAAITGB3ITGA2B
SCHEMBL7930390 0.72 TACR1 (0.36) NAAA
SCHEMBL9025094 0.71 RIPK1 (0.48) RIPK1IDO1TDO2CA1CA2
SCHEMBL9025122 0.71 RIPK1 (0.48) RIPK1IDO1TDO2CA1CA2

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
US-6211174-B1 OSTEOPOROSIS; MILK PRODUCTION AND CARCASS QUALITY IN LIVESTOCK; SHORT STATURE; METABOLIC DISORDERS MERCK & CO., INC. 2001-04-03 US disclosed