SCHEMBL23894071

SCHEMBL23894071

CCC(=O)NCCCC(=O)N(CCC(=O)O)CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ DNM1 Q05193 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALDH2 P05091 1/20 0.39
▸ KDM5A P29375 2/20 0.38
▸ KDM4C Q9H3R0 2/20 0.38

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
SCHEMBL1912627 0.83 MEN1 (0.70) MEN1KMT2ARECQLMAPTSLC6A5
SCHEMBL23901259 0.82 ADRA1A (0.58) KDM4EKDM5AKDM4C
SCHEMBL13226890 0.81 EPHX2 (0.42) MEN1KMT2AKDM4EDNM1EPHX2
SCHEMBL45902 0.77 MEN1 (0.74) MEN1KMT2AKDM4EPLA2G4AEPHX2
SCHEMBL14003537 0.77 ALDH1A1 (0.50) MEN1KMT2ALMNADNM1ALDH1A1
SCHEMBL23879339 0.76 PRMT1 (0.36) LMNAATMKDM5AKDM4C
SCHEMBL8068893 0.76 AKR1B1 (0.60) MEN1KMT2AALDH1A1KDM5AKDM4C
SCHEMBL19400289 0.76 MEN1 (0.71) MEN1KMT2APLA2G4AEPHX2ALDH1A1
SCHEMBL5522638 0.76 MEN1 (0.71) MEN1KMT2APLA2G4AEPHX2ALDH1A1
SCHEMBL20009655 0.76 MEN1 (0.71) MEN1KMT2APLA2G4AEPHX2ALDH1A1

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
CN-116143678-A Conjugate linker, cell-binding molecule-drug conjugate containing the same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-05-23 — — CN disclosed
EP-3888691-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-10-06 — — EP disclosed
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