SCHEMBL31408751

SCHEMBL31408751

CCOC(=O)C=Cc1cccc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
HSD17B3 P37058 1/20 0.61
SLC6A19 Q695T7 1/20 0.61
TTR P02766 1/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
POLB P06746 1/20 0.56
MAOB P27338 2/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL4081652 1.00 PKM (0.70) PKMHSD17B3SLC6A19TTRDPP4
SCHEMBL563301 1.00 PKM (0.70) PKMHSD17B3SLC6A19TTRDPP4
SCHEMBL4427602 0.89 TTR (0.69) PKMTTRDPP4MEN1KMT2A
SCHEMBL4427604 0.89 TTR (0.69) PKMTTRDPP4MEN1KMT2A
SCHEMBL1269502 0.84 TTR (0.63) PKMTTRDPP4MEN1KMT2A
SCHEMBL1269501 0.84 TTR (0.63) PKMTTRDPP4MEN1KMT2A
SCHEMBL2389918 0.84 CA12 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL3752885 0.84 CA12 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL6495473 0.84 CYP3A4 (0.59) PKMTTRDPP4ALDH1A1MAPT
SCHEMBL6495475 0.84 CYP3A4 (0.59) PKMTTRDPP4ALDH1A1MAPT

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-119823161-A Synthesis and application of beta-borate-beta-chloro ester compound 陇东学院 2025-04-15 CN disclosed