SCHEMBL7735575

SCHEMBL7735575

CC(C)(C)OC(=O)NCCC[C@@H](N)C(=O)N(C(=O)OC(C)(C)C)[C@H](CCc1ccccc1)C(O)c1nc2cc(C(C)(C)C)ccc2o1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
RAB9A P51151 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
ATM Q13315 1/20 0.32
BRD4 O60885 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL7731051 0.92 LMNA (0.39) MAPTCTSKNPSR1MMP1MMP3
SCHEMBL7731104 0.91 MAPT (0.39) MAPTCTSKCTSSNPSR1MMP1
SCHEMBL7723247 0.90 MAPT (0.38) MAPTCTSKCTSSNPSR1MMP1
SCHEMBL7723226 0.84 MAPT (0.38) MAPTCTSKCTSSNPSR1MMP1
SCHEMBL7732168 0.79 ADORA3 (0.37) MAPTCTSKCTSSNPSR1MMP1
SCHEMBL7731071 0.78 BCHE (0.45) CTSKCTSSNPSR1MMP1MMP3
SCHEMBL7730692 0.73 CTSL (0.42) MAPTCTSKCTSSCTSLCTSB
SCHEMBL7723243 0.72 CTSL (0.43) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7732045 0.72 CTSL (0.36) CTSKCTSSCTSLCTSBPTPN2
SCHEMBL7723327 0.70 MAPT (0.44) MAPTCTSKNPSR1MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed