SCHEMBL31129798

SCHEMBL31129798

CC(C)[C@@H](C(=O)O)N(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
SLC7A5 Q01650 1/20 0.38
ADAMTS4 O75173 1/20 0.34
GABRR1 P24046 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP9 P14780 2/20 0.32
MMP13 P45452 2/20 0.32
MMP1 P03956 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP14 P50281 1/20 0.31
MMP16 P51512 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL3380093 0.81 TP53 (0.36) TP53SLC7A5ADAMTS4GABRR1ALDH1A1
SCHEMBL3380094 0.81 TP53 (0.36) TP53SLC7A5ADAMTS4GABRR1ALDH1A1
SCHEMBL3377640 0.75 ALDH1A1 (0.38) TP53ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL3377644 0.75 ALDH1A1 (0.38) TP53ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL18921013 0.74 TP53 (0.40) TP53SLC7A5ADAMTS4GABRR1MMP2
SCHEMBL214942 0.74 TP53 (0.40) TP53SLC7A5ADAMTS4GABRR1MMP2
SCHEMBL14890392 0.74 TP53 (0.40) TP53SLC7A5ADAMTS4GABRR1MMP2
SCHEMBL15023 0.74 TP53 (0.40) TP53SLC7A5ADAMTS4GABRR1MMP2
SCHEMBL4300140 0.72 SLC7A5 (0.43) TP53SLC7A5ADAMTS4GABRR1MMP2
SCHEMBL3379312 0.72 TP53 (0.38) TP53SLC7A5ADAMTS4GABRR1ALDH1A1

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
CN-118684622-A Continuous synthesis method of imazethapyr intermediate 5-bromomethyl-2, 3-pyridine diformate 湖北泰盛化工有限公司 2024-09-24 CN claimed