SCHEMBL29640433

SCHEMBL29640433

COc1ccc(-c2coc3ccc(OC)cc3c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
KLK7 P49862 1/20 0.67
MAPT P10636 9/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
ALDH1A1 P00352 7/20 0.67
CYP3A4 P08684 6/20 0.67
KDM4E B2RXH2 5/20 0.67
TP53 P04637 5/20 0.67
HPGD P15428 4/20 0.67
CYP2C9 P11712 4/20 0.67
MAOA P21397 4/20 0.67
MAOB P27338 4/20 0.67
HSD17B10 Q99714 3/20 0.67
CYP2D6 P10635 3/20 0.67
CYP2C19 P33261 3/20 0.67
CYP1B1 Q16678 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
XDH P47989 1/20 0.67

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
SCHEMBL28172130 1.00 RAB9A (0.67) RAB9AKLK7MAPTSMN1; SMN2MEN1
SCHEMBL29068825 0.91 MAPT (0.80) RAB9AKLK7MAPTSMN1; SMN2MEN1
SCHEMBL571576 0.88 XDH (0.84) RAB9AKLK7MAPTSMN1; SMN2MEN1
SCHEMBL11942187 0.86 RAB9A (0.59) RAB9AKLK7MAPTSMN1; SMN2MEN1
SCHEMBL11937232 0.86 RAB9A (0.59) RAB9AKLK7MAPTSMN1; SMN2MEN1
SCHEMBL7030328 0.85 RAB9A (0.81) RAB9AKLK7MAPTSMN1; SMN2MEN1
SCHEMBL30573375 0.85 RAB9A (0.81) RAB9AKLK7MAPTSMN1; SMN2MEN1
SCHEMBL73754 0.85 ALDH1A1 (0.70) RAB9AKLK7MAPTSMN1; SMN2MEN1
Formonetin SCHEMBL4728656 0.84 RAB9A (0.83) RAB9AKLK7MAPTSMN1; SMN2MEN1
SCHEMBL5814089 0.81 XDH (0.78) RAB9AKLK7MAPTSMN1; SMN2MEN1

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-114636764-B Screening method of anti-inflammatory and antiviral active ingredients of andrographis paniculata 中国科学院武汉植物园 2024-01-26 CN claimed
CN-114636764-A Method for screening anti-inflammatory and antiviral active ingredients of andrographis paniculata 中国科学院武汉植物园 2022-06-17 CN claimed
CN-114636764-B Screening method of anti-inflammatory and antiviral active ingredients of andrographis paniculata 中国科学院武汉植物园 2024-01-26 CN disclosed
CN-114636764-A Method for screening anti-inflammatory and antiviral active ingredients of andrographis paniculata 中国科学院武汉植物园 2022-06-17 CN disclosed