SCHEMBL8409581

SCHEMBL8409581

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.64
MME P08473 9/20 0.64
ACE2 Q9BYF1 9/20 0.64
CTSS P25774 3/20 0.57
CTSK P43235 2/20 0.57
CPA1 P15085 7/20 0.53
PTPN1 P18031 1/20 0.52
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BCL2 P10415 1/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48

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
SCHEMBL8409577 1.00 ACE (0.64) ACEMMEACE2CTSSCTSK
SCHEMBL6160926 0.94 ACE (0.62) ACEMMEACE2CTSSCTSK
SCHEMBL6160931 0.94 ACE (0.62) ACEMMEACE2CTSSCTSK
SCHEMBL1325181 0.87 CTSS (0.72) ACEMMEACE2CTSSCTSK
SCHEMBL1325182 0.87 CTSS (0.72) ACEMMEACE2CTSSCTSK
SCHEMBL1326276 0.87 CTSS (0.72) ACEMMEACE2CTSSCTSK
SCHEMBL6160820 0.87 PTPN1 (0.61) ACEMMEACE2CPA1PTPN1
SCHEMBL6160810 0.87 PTPN1 (0.61) ACEMMEACE2CPA1PTPN1
SCHEMBL5861728 0.86 CTSB (0.60) ACEMMEACE2CTSSCTSK
SCHEMBL3826624 0.83 CTSS (0.73) ACEMMEACE2CTSSCTSK

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-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed