SCHEMBL29166041

SCHEMBL29166041

COC(=O)C(CCCCN(C)C)N(C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ ZDHHC7 Q9NXF8 1/20 0.34
▸ EPOR P19235 2/20 0.33
▸ KDM4A O75164 11/20 0.33
▸ KDM4C Q9H3R0 11/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM7A Q6ZMT4 1/20 0.33
▸ PHF8 Q9UPP1 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL29166024 0.87 KDM4A (0.36) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL30801060 0.81 KDM4A (0.33) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL30476800 0.75 FOLH1 (0.45) CHRM1EPORALDH1A1
SCHEMBL4602597 0.74 LTA4H (0.39) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL4602594 0.74 LTA4H (0.39) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL10938658 0.73 EPOR (0.49) ZDHHC7EPORCA1CA2
Hydrochloric Acid SCHEMBL5967458 0.72 LTA4H (0.38) ZDHHC7KDM4AKDM4CKDM5AKDM7A
SCHEMBL26497527 0.72 ZDHHC7 (0.36) CHRM2CHRM4CHRM5CHRM1CHRNB2
Hydrochloric Acid SCHEMBL10770242 0.72 TSHR (0.32) TSHR
SCHEMBL30476796 0.70 HDAC1 (0.48) ALDH1A1

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-117460743-A Small molecule VE-PTP inhibitors 曼宁研究公司 2024-01-26 — — CN disclosed
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