SCHEMBL28619310

SCHEMBL28619310

CCOc1ccc(CCNC(=O)CCl)cc1OCC

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
LMNA P02545 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 1/20 0.61
MEN1 O00255 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL21255983 0.93 KMT2A (0.62) GAALMNAKMT2AMEN1POLB
SCHEMBL29463727 0.89 GAA (0.66) GAALMNAL3MBTL1KMT2AALDH1A1
SCHEMBL11638911 0.89 GAA (0.66) GAALMNAL3MBTL1KMT2AALDH1A1
SCHEMBL29463748 0.89 GAA (0.66) GAALMNAL3MBTL1KMT2AALDH1A1
SCHEMBL14976630 0.85 KMT2A (0.63) GAAL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL11446232 0.85 KMT2A (0.67) GAALMNAL3MBTL1KMT2AALDH1A1
SCHEMBL14976546 0.85 GAA (0.62) GAALMNAL3MBTL1KMT2AALDH1A1
SCHEMBL14985314 0.84 GAA (0.64) GAALMNAL3MBTL1KMT2AALDH1A1
SCHEMBL7308152 0.83 GAA (0.60) GAALMNAL3MBTL1KMT2AALDH1A1
SCHEMBL7306284 0.83 GAA (0.60) GAALMNAL3MBTL1KMT2AALDH1A1

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-112608250-A Biphenyl derivative compound, preparation method and application 武城县人民医院 2021-04-06 CN disclosed