SCHEMBL5756689

SCHEMBL5756689

O=C(NC1(C(=O)O)CCCC1)c1ccc(C(O)c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 5/20 0.43
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
FABP4 P15090 5/20 0.41
FABP5 Q01469 5/20 0.41
ALDH1A1 P00352 1/20 0.39
CXCR5 P32302 1/20 0.39
CXCR2 P25025 1/20 0.38
TACR2 P21452 1/20 0.37
FAAH O00519 1/20 0.37
PYGL P06737 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3554717 0.75 GYS1 (0.52) ALDH1A1
SCHEMBL1813782 0.74 CTSL (0.64) ERAP1CTSLCTSBCTSSFABP4
SCHEMBL5105697 0.71 SMN1; SMN2 (0.51) ALDH1A1POLB
SCHEMBL1840233 0.68 RAB9A (0.55) ERAP1ALDH1A1TACR2POLB
SCHEMBL1843420 0.67 KDM4E (0.52) ALDH1A1
SCHEMBL5418414 0.67 FABP4 (0.61) FABP4FABP5ALDH1A1POLB
SCHEMBL1836676 0.67 CTSK (0.61) CTSLCTSBCTSSALDH1A1FAAH
SCHEMBL13164041 0.66 PYGL (0.54) CXCR5PYGLPOLB
SCHEMBL5756330 0.66 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL12831361 0.64 CTSL (0.66) CTSLCTSBCTSSTACR2

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
EP-1663936-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
WO-2005000781-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed