SCHEMBL28519299

SCHEMBL28519299

COc1ccc2[nH]cc(C(=O)C(=O)Nc3ccc(OC)c(OC)c3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.58
GABRP O00591 4/20 0.53
GABRD O14764 4/20 0.53
GABRA1 P14867 4/20 0.53
GABRB1 P18505 4/20 0.53
GABRG2 P18507 4/20 0.53
GABRB3 P28472 4/20 0.53
GABRA5 P31644 4/20 0.53
GABRA3 P34903 4/20 0.53
GABRA2 P47869 4/20 0.53
GABRB2 P47870 4/20 0.53
GABRA4 P48169 4/20 0.53
GABRE P78334 4/20 0.53
GABRA6 Q16445 4/20 0.53
GABRG1 Q8N1C3 4/20 0.53
GABRG3 Q99928 4/20 0.53
GABRQ Q9UN88 4/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53

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
SCHEMBL28511881 0.89 NR4A2 (0.65) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL28521278 0.89 NR4A2 (0.58) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL28511912 0.85 NR4A2 (0.57) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL28519317 0.85 MAPT (0.60) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL14554206 0.85 RAB9A (0.66) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL11924916 0.81 GABRP (0.71) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL24906134 0.80 NR4A2 (0.70) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL30279599 0.80 NR4A2 (0.70) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL1858919 0.78 NR4A2 (0.69) NR4A2RAB9ALMNAMAPTMEN1
SCHEMBL6031174 0.78 NR4A2 (0.74) NR4A2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN claimed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN claimed
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN disclosed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN disclosed