SCHEMBL29828595

SCHEMBL29828595

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.62
▸ MME P08473 2/20 0.60
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MPO P05164 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ ACE P12821 3/20 0.58
▸ ERAP2 Q6P179 1/20 0.57
▸ OPRD1 P41143 2/20 0.54
▸ CCKAR P32238 1/20 0.54
▸ CCKBR P32239 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ ECE1 P42892 1/20 0.54

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
SCHEMBL31485773 0.98 LTA4H (0.62) LTA4HMMEKMT2AKDM4EMEN1
SCHEMBL29430079 0.97 LTA4H (0.58) LTA4HMMEKMT2AKDM4EMEN1
SCHEMBL29975563 0.95 ACE (0.64) LTA4HKMT2AKDM4EMEN1LMNA
SCHEMBL30288025 0.94 KMT2A (0.64) LTA4HMMEKMT2AKDM4EMEN1
SCHEMBL29828625 0.94 KDM4E (0.64) LTA4HKMT2AKDM4EMEN1LMNA
SCHEMBL29440485 0.94 KDM4E (0.64) LTA4HKMT2AKDM4EMEN1LMNA
SCHEMBL29828268 0.94 KDM4E (0.64) LTA4HKMT2AKDM4EMEN1LMNA
SCHEMBL29828703 0.94 KDM4E (0.64) LTA4HKMT2AKDM4EMEN1LMNA
SCHEMBL29828574 0.94 KDM4E (0.64) LTA4HKMT2AKDM4EMEN1LMNA
SCHEMBL29828853 0.94 KDM4E (0.64) LTA4HKMT2AKDM4EMEN1LMNA

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
US-12288584-B2 Storage of information using mixtures of molecules PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2025-04-29 — — US disclosed
US-20220301624-A1 STORAGE OF INFORMATION USING MIXTURES OF MOLECULES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-09-22 — — US disclosed
CN-114787929-A Information storage using molecular mixtures 哈佛学院院长等 2022-07-22 — — CN disclosed
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