SCHEMBL28811157

SCHEMBL28811157

CCCCCCCCCC=Cc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
CNR2 P34972 1/20 0.56
CYP3A4 P08684 1/20 0.55
ATM Q13315 1/20 0.55
SOAT1 P35610 1/20 0.54
GABRA1 P14867 3/20 0.51
GABRB2 P47870 3/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TRPM8 Q7Z2W7 2/20 0.49
CYP19A1 P11511 1/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL8392531 1.00 FAAH (0.56) FAAHCNR2CYP3A4ATMSOAT1
SCHEMBL8392526 1.00 FAAH (0.56) FAAHCNR2CYP3A4ATMSOAT1
SCHEMBL8393161 1.00 FAAH (0.56) FAAHCNR2CYP3A4ATMSOAT1
SCHEMBL5718458 1.00 FAAH (0.56) FAAHCNR2CYP3A4ATMSOAT1
SCHEMBL5718457 1.00 FAAH (0.56) FAAHCNR2CYP3A4ATMSOAT1
SCHEMBL20382757 0.91 CNR2 (0.47) FAAHCNR2CYP3A4ATMSOAT1
SCHEMBL11011121 0.88 CYP3A4 (0.62) CYP3A4ATMSOAT1GABRA1GABRB2
SCHEMBL11011119 0.88 CYP3A4 (0.62) CYP3A4ATMSOAT1GABRA1GABRB2
SCHEMBL30525080 0.82 FAAH (0.58) FAAHCNR2CYP3A4ATMSOAT1
SCHEMBL11819169 0.81 FAAH (0.55) FAAHCNR2CYP3A4ATMSOAT1

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-118021911-A Medicine for treating chronic atrophic gastritis and gastric ulcer and preparation method thereof 北京济全生物科技有限公司 2024-05-14 CN disclosed
CN-114848781-B A Chinese medicinal composition for treating bradyarrhythmia and preparation method thereof 中国中医科学院西苑医院 2023-03-17 CN disclosed
CN-114848781-A A Chinese medicinal composition for treating arrhythmia, and its preparation method 中国中医科学院西苑医院 2022-08-05 CN disclosed