SCHEMBL17689720

SCHEMBL17689720

COC(=O)C1CC(OC)C(OC)C(OC)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.48
▸ CHRNA4 P43681 2/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA7 P36544 1/20 0.48
▸ BRD4 O60885 1/20 0.40
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL3042691 0.88 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL637167 0.81 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL636060 0.81 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2410317 0.81 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7533189 0.80 APLNR (0.34) —
SCHEMBL24906197 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3554318 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6407220 0.78 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL6407214 0.78 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL12265855 0.78 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-119161372-A Bimetallic compound based on hydrazide pyrene skeleton, and preparation method and application thereof 万华化学集团股份有限公司 2024-12-20 — — CN claimed
CN-119161372-A Bimetallic compound based on hydrazide pyrene skeleton, and preparation method and application thereof 万华化学集团股份有限公司 2024-12-20 — — CN disclosed
EP-2596960-B1 Reusable print medium and method of manufacturing thereof OCE TECH BV (NL) 2016-04-20 — — EP disclosed
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