SCHEMBL7732045

SCHEMBL7732045

CC(C)(C)c1ccc2oc(C(O)[C@@H](CCc3ccccc3)N(C[C@H](N)CCCN)C(=O)C(F)(F)F)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL7733852 0.89 LMNA (0.37) DAGLA
SCHEMBL7731117 0.89 FAAH (0.35) PPARGPPARAPTPN2PTPN1DAGLA
SCHEMBL7734187 0.89 F9 (0.30)
Trifluoroacetic Acid SCHEMBL7732038 0.78 CTSL (0.41) CTSLCTSBCTSSCTSKPPARG
SCHEMBL7723243 0.77 CTSL (0.43) CTSLCTSBCTSSCTSKPTPN2
SCHEMBL7730692 0.76 CTSL (0.42) CTSLCTSBCTSSCTSKPTPN2
SCHEMBL7723163 0.75 HPGD (0.39) PPARGPPARDPPARA
SCHEMBL7732041 0.72 CTSL (0.39) CTSLCTSBCTSSCTSKPPARG
SCHEMBL7735575 0.72 MAPT (0.37) CTSLCTSBCTSSCTSKPTPN2
SCHEMBL7732434 0.68 CTSL (0.43) CTSLCTSBCTSSCTSK

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