SCHEMBL26522477

SCHEMBL26522477

CCN(CC)CCCC[C@H](NOC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ PAOX Q6QHF9 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33

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
SCHEMBL24642703 0.83 KDM4A (0.37) ALDH1A1KDM5AKDM4C
SCHEMBL24642553 0.81 SIGMAR1 (0.43) SIGMAR1LMNAL3MBTL1ALDH1A1SIRT2
SCHEMBL24642319 0.81 SIGMAR1 (0.43) SIGMAR1LMNAALDH1A1SIRT2CYP2D6
SCHEMBL24642520 0.80 LMNA (0.44) SIGMAR1LMNAALDH1A1SIRT2CYP2D6
SCHEMBL19223326 0.77 SIGMAR1 (0.42) SIGMAR1LMNAL3MBTL1ALDH1A1CYP2D6
SCHEMBL29193624 0.76 FOLH1 (0.51) SIRT1
SCHEMBL2038707 0.76 FOLH1 (0.51) SIRT1
SCHEMBL26497528 0.75 L3MBTL1 (0.38) SIGMAR1LMNAL3MBTL1ALDH1A1SIRT2
SCHEMBL17102940 0.75 SIGMAR1 (0.50) SIGMAR1LMNAALDH1A1CYP2D6CYP1A2
SCHEMBL15834890 0.75 CTSK (0.49) 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
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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