SCHEMBL28289079

SCHEMBL28289079

CC=CC(=O)NCCCOC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
HPGD P15428 3/20 0.54
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 2/20 0.42
APEX1 P27695 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL29470599 0.88 HPGD (0.51) CYP1A2HPGDTSHRALDH1A1MEN1
SCHEMBL20586424 0.85 APEX1 (0.42) CYP1A2HPGDTSHRALDH1A1MEN1
SCHEMBL19509467 0.84 TSHR (0.58) CYP1A2HPGDTSHRALDH1A1MEN1
SCHEMBL21610956 0.83 APEX1 (0.49) ALDH1A1KMT2ASMN1; SMN2APEX1KDM4E
SCHEMBL5634992 0.82 CYP1A2 (0.44) CYP1A2HPGDTSHRALDH1A1MEN1
SCHEMBL25207949 0.81 HPGD (0.43) CYP1A2HPGDTSHRMEN1KMT2A
SCHEMBL17930915 0.81 CYP1A2 (0.52) CYP1A2HPGDTSHRALDH1A1MEN1
SCHEMBL22187118 0.81 APEX1 (0.51) ALDH1A1SMN1; SMN2APEX1KDM4E
SCHEMBL29027498 0.80 APEX1 (0.40) CYP1A2HPGDTSHRALDH1A1MEN1
SCHEMBL20582517 0.79 APEX1 (0.39) CYP1A2HPGDTSHRALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109580756-A Composition applied to Capillary Electrophoresis 杨翠芳 2019-04-05 CN claimed
CN-109580756-A Composition applied to Capillary Electrophoresis 杨翠芳 2019-04-05 CN disclosed