SCHEMBL6330557

SCHEMBL6330557

O=C(N[C@@H](Cc1ccccc1)C(O)CBr)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.58
CTRB1 P17538 2/20 0.57
CTSB P07858 2/20 0.56
TACR1 P25103 3/20 0.51
CTSL P07711 3/20 0.50
SPPL2A Q8TCT8 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
ATM Q13315 1/20 0.47
CTSD P07339 1/20 0.47
KLK5 Q9Y337 1/20 0.46

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
SCHEMBL7314941 1.00 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL6347062 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL6812568 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL8536514 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL8536562 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL6810019 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL5889247 0.86 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL7320613 0.86 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL3023447 0.86 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL
SCHEMBL3023446 0.86 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38796-E1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO.,INC. (JP) 2005-09-13 US disclosed
EP-0774453-B1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO KK (JP) 2002-02-06 EP disclosed
EP-1097919-A2 Process for producing 4-amino-3-oxo-butanoic acid ester Ajinomoto Co., Inc. (JP) 2001-05-09 EP disclosed
US-5902887-A Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO., INC. (JP) 1999-05-11 US disclosed
US-5767316-A REACTING PROTECTED AMINO ACID WITH ALKALI METAL ENOLATE OF ACETATE, HALOGENATING, HYDROLYZING, DECARBOXYLATING AJINOMOTO CO., INC. (JP) 1998-06-16 US disclosed
EP-0774453-A1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives Ajinomoto Co., Inc. (JP) 1997-05-21 EP disclosed