SCHEMBL8044508

SCHEMBL8044508

O=CN[C@@H](CS)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.50
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HCAR2 Q8TDS4 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX1 P07099 1/20 0.44
CTSB P07858 2/20 0.43
TACR1 P25103 1/20 0.42
LMNA P02545 1/20 0.42
ACE P12821 1/20 0.41
TSHR P16473 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41

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
SCHEMBL10885963 0.86 EPHX1 (0.53) CTRB1KMT2AMEN1TAAR1ALDH1A1
SCHEMBL27568996 0.86 ALDH1A1 (0.46) KMT2AMEN1TAAR1ALDH1A1HCAR2
SCHEMBL20804450 0.85 FOLH1 (0.49) KMT2AALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL27572427 0.84 ALDH1A1 (0.50) KMT2AALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL6128026 0.83 CTRB1 (0.54) CTRB1KMT2AALDH1A1HCAR2MAPK1
SCHEMBL6467419 0.82 CTSK (0.55) CTSB
SCHEMBL27421029 0.82 CTSK (0.55) CTSB
SCHEMBL27745748 0.82 CTSK (0.55) CTSB
SCHEMBL8256369 0.82 FOLH1 (0.53) ALDH1A1TACR1ACE
SCHEMBL4954521 0.81 CTRB1 (0.52) CTRB1KMT2AALDH1A1MAPK1L3MBTL1

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
WO-2000074705-A1 RHEUMATIC AUTOIMMUNE DISEASE ANTIGEN PREHM PETER (DE) 2000-12-14 WO disclosed