SCHEMBL29470599

SCHEMBL29470599

CC=CC(=O)NCCOC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
GLA P06280 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25207949 0.89 HPGD (0.43) HPGDGLASMN1; SMN2CYP1A2KMT2A
SCHEMBL28289079 0.88 CYP1A2 (0.55) HPGDGLASMN1; SMN2CYP1A2KMT2A
SCHEMBL10960820 0.83
SCHEMBL14642043 0.82 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1APEX1
SCHEMBL22187119 0.82 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1APEX1
SCHEMBL14980473 0.82 ALDH1A1 (0.51) HPGDGLACYP1A2CYP2C19ALDH1A1
SCHEMBL18810404 0.82 HPGD (0.50) HPGDGLASMN1; SMN2CYP1A2KMT2A
SCHEMBL26700145 0.82 HPGD (0.50) HPGDGLASMN1; SMN2CYP1A2KMT2A
SCHEMBL14559155 0.82 HPGD (0.50) HPGDGLASMN1; SMN2CYP1A2KMT2A
SCHEMBL22109111 0.80 HPGD (0.49) HPGDGLASMN1; SMN2CYP1A2KMT2A

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
WO-2022053000-A1 CARBOCYCLIC AMIDE DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 四川海思科制药有限公司 2022-03-17 WO disclosed