SCHEMBL24642319

SCHEMBL24642319

CCN(CC)CCCC[C@H](NO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ NOD1 Q9Y239 4/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ SIRT2 Q8IXJ6 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PAOX Q6QHF9 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 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
SCHEMBL24642437 0.88 NOD1 (0.41) NOD1KDM5AKDM4CSLC6A5
SCHEMBL24642503 0.88 KDM5A (0.45) NOD1KDM5AKDM4CSLC6A5
SCHEMBL24642553 0.86 SIGMAR1 (0.43) SIGMAR1LMNAALDH1A1NOD1KDM5A
SCHEMBL24642520 0.84 LMNA (0.44) SIGMAR1LMNAALDH1A1NOD1KDM5A
SCHEMBL24642930 0.83 NOD1 (0.44) NOD1KDM5AKDM4CSLC6A5
SCHEMBL26497528 0.83 L3MBTL1 (0.38) SIGMAR1LMNAALDH1A1SIRT2PAOX
SCHEMBL24642627 0.82 DRD2 (0.37) LMNANOD1KDM5AKDM4CSLC6A5
SCHEMBL24642454 0.81 KDM4A (0.40) ALDH1A1NOD1KDM5AKDM4C
SCHEMBL26522477 0.81 SIGMAR1 (0.40) SIGMAR1LMNAALDH1A1NOD1KDM5A
SCHEMBL26497354 0.81 DRD2 (0.36) NOD1KDM5AKDM4CSLC6A5

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
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
WO-2022170971-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州宜联生物医药有限公司 2022-08-18 — — WO disclosed
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