SCHEMBL28610694

SCHEMBL28610694

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 2/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
KIF11 P52732 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSD17B1 P14061 1/20 0.39
GAA P10253 1/20 0.39
MAOA P21397 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4491026 0.82 RARB (0.55) ACACBALDH1A1HPGDRARBRARG
SCHEMBL13597752 0.82 RARB (0.46) ACACBMAPTALDH1A1HPGDL3MBTL1
SCHEMBL29877145 0.81 PARP10 (0.43) MAPTALDH1A1L3MBTL1KMT2AMAOB
SCHEMBL737968 0.81 L3MBTL1 (0.52) ACACBMAPTALDH1A1HPGDL3MBTL1
SCHEMBL4491505 0.80 PTPN11 (0.53) MAPTALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL30727809 0.80 HDAC6 (0.48) ACACBMAPTHPGDL3MBTL1LMNA
SCHEMBL10411946 0.77 ACACB (0.49) ACACBMAPTALDH1A1HPGDL3MBTL1
SCHEMBL28933350 0.77 HPGD (0.41) ACACBMAPTALDH1A1HPGDL3MBTL1
SCHEMBL4001178 0.76 CA1 (0.53) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL10001336 0.75 ACACB (0.47) ACACBMAPTALDH1A1HPGDL3MBTL1

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-113173830-A Synthesis method of 1, 1-difluoro-2-propylene hydrocarbon compound 合肥工业大学 2021-07-27 CN disclosed