SCHEMBL7957368

SCHEMBL7957368

CC(C)CC(C(=O)O)[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.47
ACE P12821 9/20 0.47
ACE2 Q9BYF1 3/20 0.47
CPA1 P15085 2/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
SRR Q9GZT4 2/20 0.44
PSAT1 Q9Y617 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMEL1 Q495T6 1/20 0.43
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
MMP1 P03956 1/20 0.42

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
SCHEMBL7837561 1.00 MME (0.47) MMEACEACE2CPA1CTSS
SCHEMBL6940090 0.92 ACE (0.47) MMEACEPOLBMAPTATM
SCHEMBL27471453 0.92 ACE (0.47) MMEACEPOLBMAPTATM
SCHEMBL7840436 0.87 CTSS (0.47) MMEACEACE2CPA1CTSS
SCHEMBL7946604 0.87 CTSS (0.47) MMEACEACE2CPA1CTSS
SCHEMBL15015724 0.82 SLC1A3 (0.51) ACECPA1CTSSCTSKSRR
SCHEMBL7280316 0.82 SLC1A3 (0.51) ACECPA1CTSSCTSKSRR
SCHEMBL7764145 0.82 CASP3 (0.45) POLBMMP1
SCHEMBL7764153 0.82 CASP3 (0.45) POLBMMP1
SCHEMBL7759196 0.81 POLB (0.49) ACE2CTSKPOLBMAPTNPSR1

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-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed