SCHEMBL29828893

SCHEMBL29828893

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
MPO P05164 1/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
KMT2A Q03164 1/20 0.64
HIF1A Q16665 1/20 0.64
ACE P12821 3/20 0.59
ERAP2 Q6P179 1/20 0.58
ECE1 P42892 4/20 0.55
LTA4H P09960 1/20 0.55
ALOX15 P16050 1/20 0.55
MMP2 P08253 2/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP1 P03956 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
SCHEMBL29828703 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29829233 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29828625 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29440485 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29828268 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29828853 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29828574 1.00 KDM4E (0.64) KDM4EMEN1LMNAMPOMAPT
SCHEMBL31074794 0.98 KDM4E (0.67) KDM4EMEN1LMNAMPOMAPT
SCHEMBL21641794 0.98 KDM4E (0.67) KDM4EMEN1LMNAMPOMAPT
SCHEMBL10434701 0.98 KDM4E (0.67) KDM4EMEN1LMNAMPOMAPT

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 4 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
EP-4035155-A1 STORAGE OF INFORMATION USING MIXTURES OF MOLECULES President And Fellows Of Harvard College (US) 2022-08-03 EP disclosed
CN-114787929-A Information storage using molecular mixtures 哈佛学院院长等 2022-07-22 CN disclosed