SCHEMBL28253174

SCHEMBL28253174

C=CCOCc1[c]ccc(OCC=C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA9 Q16790 5/20 0.37
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
FGFR1 P11362 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3846804 0.76 MAPT (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL920851 0.75 MAPT (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9230402 0.75 ALDH1A1 (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL15066907 0.75 MAPT (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL16057644 0.73 LMNA (0.38) MAPTLMNAALDH1A1RAB9A
SCHEMBL22987 0.73 CYP3A4 (0.38) MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL9834426 0.71 LMNA (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9738774 0.71 MAPT (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL482465 0.69 CA12 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7557594 0.69 NQO1 (0.38) MAPTMEN1KMT2ALMNASMN1; SMN2

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-108864160-A The preparation method of boron-containing small molecules 苏州旺山旺水生物医药有限公司 2018-11-23 CN disclosed