SCHEMBL28082149

SCHEMBL28082149

O=C(O)c1cccc(OCCCCOc2ccccc2)c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
PTK2B Q14289 1/20 0.53
KCNA3 P22001 5/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FOLH1 Q04609 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
PKM P14618 1/20 0.47
GRM2 Q14416 2/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46

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
SCHEMBL2450380 0.87 ALDH1A1 (0.90) ALDH1A1KMT2AMEN1PTK2BKCNA3
SCHEMBL8085939 0.84 MEN1 (0.57) KMT2AMEN1LMNAMAPT
SCHEMBL2451111 0.83 ALDH1A1 (0.90) ALDH1A1KMT2AMEN1PTK2BKCNA3
SCHEMBL29723824 0.83 ALDH1A1 (0.51) ALDH1A1KMT2APTK2BLMNAFOLH1
SCHEMBL11377270 0.83 ALDH1A1 (0.51) ALDH1A1KMT2APTK2BLMNAFOLH1
SCHEMBL5722029 0.83 LMNA (0.60) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL28214715 0.83 LMNA (0.60) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL9153749 0.83 LMNA (0.60) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL6840729 0.83 KMT2A (0.51) ALDH1A1KMT2AMEN1PTK2BLMNA
SCHEMBL29225452 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1PTK2BLMNA

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-104011015-B Heat-sensitive coating composition 巴斯夫欧洲公司 2016-06-29 CN disclosed