SCHEMBL29398451

SCHEMBL29398451

N[C@H](Cc1cc(Cl)ccc1Cl)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP3A4 P08684 2/20 0.50
USP2 O75604 2/20 0.50
PKM P14618 2/20 0.50
RGS12 O14924 1/20 0.50
NFKB1 P19838 1/20 0.50
CASP1 P29466 1/20 0.50
BRCA1 P38398 1/20 0.50
THPO P40225 1/20 0.50
CASP7 P55210 1/20 0.50

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
SCHEMBL29398382 1.00 CYP2C9 (0.51) CYP2C9MEN1ALDH1A1CYP1A2HPGD
SCHEMBL21690291 1.00 CYP2C9 (0.51) CYP2C9MEN1ALDH1A1CYP1A2HPGD
SCHEMBL44904 0.86 HDAC8 (0.58) CYP2C9MEN1ALDH1A1CYP1A2HPGD
SCHEMBL29350881 0.86 HDAC8 (0.58) CYP2C9MEN1ALDH1A1CYP1A2HPGD
SCHEMBL1613174 0.86 HDAC8 (0.58) CYP2C9MEN1ALDH1A1CYP1A2HPGD
SCHEMBL44905 0.86 HDAC8 (0.58) CYP2C9MEN1ALDH1A1CYP1A2HPGD
SCHEMBL2266974 0.85 CYP2C9 (0.49) CYP2C9MEN1ALDH1A1CYP1A2HPGD
SCHEMBL25177946 0.83 USP2 (0.47) CYP2C9MEN1ALDH1A1HPGDALOX15
SCHEMBL22410262 0.83 USP2 (0.47) CYP2C9MEN1ALDH1A1CYP1A2HPGD
SCHEMBL22410265 0.83 USP2 (0.47) CYP2C9MEN1ALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed