SCHEMBL28177697

SCHEMBL28177697

CCOc1ccccc1C(=O)ON(CC)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.54
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
GLA P06280 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
HCRTR2 O43614 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45

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
Hydrochloric Acid SCHEMBL28177624 0.98 HCRTR1 (0.53) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
Acetic Acid SCHEMBL27831573 0.95 HCRTR1 (0.50) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
Citric Acid SCHEMBL28177656 0.86 KDM4E (0.47) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL3680326 0.85 TSHR (0.42) HCRTR1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL11465524 0.83 HSD17B10 (0.58) ESR1ALDH1A1MAPK1LMNAKMT2A
Hydrochloric Acid SCHEMBL28177658 0.81 HSD17B10 (0.56) ESR1ALDH1A1MAPK1LMNAKMT2A
SCHEMBL28992535 0.81 HCRTR1 (0.62) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL4282830 0.81 HCRTR1 (0.62) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL6464181 0.81 HCRTR1 (0.62) HCRTR1ESR1ESR2L3MBTL1ALDH1A1
SCHEMBL536025 0.80 TSHR (0.71) HCRTR1ESR1ESR2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191846-A High-penetration composition and its application 于崇曦 2018-06-22 CN disclosed
CN-107320732-A High-penetration composition and its application 于崇曦 2017-11-07 CN disclosed
CN-107261149-A High-penetration composition and its application 于崇曦 2017-10-20 CN disclosed