SCHEMBL6330627

SCHEMBL6330627

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.45
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.43
PTPN1 P18031 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MDM2 Q00987 1/20 0.40
SLC15A1 P46059 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL27686290 1.00 CPA1 (0.45) CPA1HPGDCYP1A2PTPN1ALPI
SCHEMBL5169748 0.83 ALDH1A1 (0.46) CPA1HPGDCYP1A2ALPIPKM
SCHEMBL5170328 0.83 ALDH1A1 (0.46) CPA1HPGDCYP1A2ALPIPKM
SCHEMBL5169742 0.83 ALDH1A1 (0.46) CPA1HPGDCYP1A2ALPIPKM
SCHEMBL8202673 0.82 CYP1A2 (0.53) CPA1HPGDCYP1A2PTPN1ALPI
SCHEMBL2319694 0.82 CYP1A2 (0.53) CPA1HPGDCYP1A2PTPN1ALPI
Hydrochloric Acid SCHEMBL6336814 0.81 CYP1A2 (0.52) CPA1HPGDCYP1A2PTPN1ALPI
SCHEMBL9709725 0.80 HPGD (0.48) HPGDALDH1A1MAPTSIGMAR1MEN1
SCHEMBL2059348 0.80 MCL1 (0.43) HPGDCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL13536371 0.80 EPHX1 (0.47) HPGDCYP1A2ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101037403-A Method for synthesizing anti-aids drug amprenavir intermediate UNIV XIAMEN (CN) 2007-09-19 CN claimed
CN-101037403-A Method for synthesizing anti-aids drug amprenavir intermediate UNIV XIAMEN (CN) 2007-09-19 CN disclosed
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