SCHEMBL29208508

SCHEMBL29208508

C#CCOc1ccc(OC(=O)C2CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ELANE P08246 2/20 0.51
GSTP1 P09211 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
F2 P00734 1/20 0.45
POLB P06746 3/20 0.44
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
PTGS2 P35354 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL11823665 0.82 KMT2A (0.83) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL29208503 0.81 KMT2A (0.63) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL9718537 0.80 CA12 (0.53) KMT2AGSTP1CA12CA1CA2
SCHEMBL18417199 0.79 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL9117935 0.79 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL4544910 0.78 KMT2A (0.59) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL14609921 0.77 KMT2A (0.58) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL4544903 0.77 SMN1; SMN2 (0.58) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL13198397 0.77 ELANE (0.64) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL28237429 0.76 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813284-A Halogenated acethydrazide as AEP inhibitor 豪夫迈·罗氏有限公司 2024-04-02 CN disclosed