SCHEMBL29123540

SCHEMBL29123540

CCCCCCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.74
▸ MAPT P10636 6/20 0.74
▸ BACE1 P56817 3/20 0.74
▸ NFKB1 P19838 3/20 0.74
▸ MMP9 P14780 3/20 0.74
▸ CYP2D6 P10635 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ TSHR P16473 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ ABCB1 P08183 2/20 0.74
▸ AKR1B1 P15121 2/20 0.74
▸ MAOA P21397 2/20 0.74
▸ MAOB P27338 2/20 0.74
▸ TOP2A P11388 2/20 0.74
▸ HDAC3 O15379 2/20 0.74
▸ HDAC1 Q13547 2/20 0.74
▸ HDAC2 Q92769 2/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.74
▸ ALOX5 P09917 2/20 0.74
▸ STAT3 P40763 2/20 0.74

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
SCHEMBL31498024 1.00 APP (0.74) APPMAPTBACE1NFKB1MMP9
Ammonia Solution, Strong SCHEMBL28303751 0.98 APP (0.74) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL28117506 0.94 APP (0.84) APPMAPTBACE1NFKB1MMP9
SCHEMBL1378809 0.91 APP (0.80) APPMAPTBACE1NFKB1MMP9
SCHEMBL30663618 0.90 APP (0.86) APPMAPTBACE1NFKB1MMP9
SCHEMBL8965197 0.90 TOP2A (0.77) APPMAPTBACE1NFKB1MMP9
SCHEMBL8965200 0.90 TOP2A (0.77) APPMAPTBACE1NFKB1MMP9
SCHEMBL2840285 0.88 HTR1A (0.82) APPMAPTBACE1NFKB1MMP9
SCHEMBL2840282 0.88 HTR1A (0.82) APPMAPTBACE1NFKB1MMP9
SCHEMBL30240113 0.88 HTR1A (0.82) APPMAPTBACE1NFKB1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116963724-A Treatment for human malignant pleural effusion 萨恩帕斯药物有限公司 2023-10-27 — — CN claimed
CN-116963724-A Treatment for human malignant pleural effusion 萨恩帕斯药物有限公司 2023-10-27 — — CN disclosed
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