SCHEMBL29828545

SCHEMBL29828545

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MPO P05164 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ ACE P12821 2/20 0.56
▸ ERAP2 Q6P179 1/20 0.55
▸ ECE1 P42892 8/20 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
▸ APAF1 O14727 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ RECQL P46063 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
SCHEMBL31171635 0.98 CASP1 (0.55) KDM4EMAPTMEN1LMNAMPO
SCHEMBL29559633 0.93 ACE (0.62) KDM4EMAPTMEN1LMNAMPO
SCHEMBL31171681 0.93 CASP1 (0.57) ACEERAP2ECE1MMP2MMP9
SCHEMBL29531522 0.92 ERAP2 (0.60) KDM4EMAPTMEN1LMNAMPO
SCHEMBL31720961 0.92 ERAP2 (0.60) KDM4EMAPTMEN1LMNAMPO
SCHEMBL31171651 0.92 ACE (0.59) KDM4EMAPTMEN1LMNAMPO
SCHEMBL21641804 0.92 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL29638036 0.92 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL29362572 0.92 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL9822472 0.92 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO

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
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