SCHEMBL28847017

SCHEMBL28847017

CC(=O)c1ccc(C#CCBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
KMT2A Q03164 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SOST Q9BQB4 1/20 0.43
GAA P10253 1/20 0.43
MMP2 P08253 2/20 0.41
MMP12 P39900 2/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 3/20 0.40
HSD17B1 P14061 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 1/20 0.39
PYCR1 P32322 1/20 0.38

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
SCHEMBL8950659 0.82 MMP2 (0.59) ACACBKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL12899407 0.82 ACACB (0.47) ACACBKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL18380644 0.81 MMP2 (0.55) ACACBKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL2896389 0.79 ACACB (0.45) ACACBKMT2AMAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL21803767 0.79 BLM (0.52) ACACBKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL20138460 0.78 ALDH1A1 (0.50) KMT2AMAPTALDH1A1L3MBTL1GAA
SCHEMBL17435409 0.78 ACACB (0.46) ACACBKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8808203 0.78 CA1 (0.54) KMT2AMAPTALDH1A1L3MBTL1LMNA
SCHEMBL10411946 0.77 ACACB (0.49) ACACBKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL10001336 0.75 ACACB (0.47) ACACBKMT2AMAPTALDH1A1L3MBTL1

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-115073255-A Method for synthesizing conjugated cyclobutene by palladium catalysis 中国科学院大连化学物理研究所 2022-09-20 CN claimed