SCHEMBL29615880

SCHEMBL29615880

C=C1Cc2cc3cc(OC)cc(O)c3c(O)c2C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MAOA P21397 6/20 0.39
MGAM O43451 3/20 0.39
OPRD1 P41143 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 2/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2114985 0.76 KLK7 (0.70) KDM4EKLK7KLK5MAOAOPRD1
SCHEMBL2114989 0.76 KLK7 (0.70) KDM4EKLK7KLK5MAOAOPRD1
SCHEMBL29460459 0.73 KDM4E (0.45) KDM4EGAASMN1; SMN2KLK7KLK5
SCHEMBL11036695 0.70 ALDH1A1 (0.42) KDM4EGAASMN1; SMN2KLK7KLK5
SCHEMBL16226381 0.69 KDM4E (0.44) KDM4EGAASMN1; SMN2KLK7KLK5
SCHEMBL16227025 0.69 KDM4E (0.44) KDM4EGAASMN1; SMN2KLK7KLK5
SCHEMBL16227140 0.69 KDM4E (0.44) KDM4EGAASMN1; SMN2KLK7KLK5
SCHEMBL30434900 0.69 KDM4E (0.44) KDM4EGAASMN1; SMN2KLK7KLK5
SCHEMBL19476026 0.69 KDM4E (0.63) KDM4EGAASMN1; SMN2OPRD1MAPT
SCHEMBL9551490 0.66 CYP3A4 (0.58) KDM4EGAASMN1; SMN2MAOAPTGS1

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-112996799-B Composition for neuroprotection comprising naphthopyranone derivative derived from cassia bud 韩国科学技术研究院 2025-02-07 CN disclosed
CN-118161568-A Composition and ointment formula for soothing liver and relieving depression as well as preparation method and application of composition and ointment formula 北京泰开尔营养科技发展有限责任公司 2024-06-11 CN disclosed
CN-114392212-A Theaflavin composition, preparation method and application 江苏德和生物科技有限公司 2022-04-26 CN disclosed