SCHEMBL29531522

SCHEMBL29531522

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 4/20 0.60
▸ MAGI3 Q5TCQ9 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MPO P05164 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ ACE P12821 2/20 0.54
▸ ECE1 P42892 7/20 0.53
▸ IL1RN P18510 3/20 0.53
▸ ERAP1 Q9NZ08 2/20 0.53
▸ APAF1 O14727 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL31720961 1.00 ERAP2 (0.60) ERAP2MAGI3KDM4EMAPTMEN1
SCHEMBL29352054 0.94 MAGI3 (0.64) ERAP2MAGI3KDM4EMAPTMEN1
SCHEMBL30123199 0.93 ERAP2 (0.63) ERAP2MAGI3KDM4EMAPTMEN1
SCHEMBL29828545 0.92 KDM4E (0.57) ERAP2KDM4EMAPTMEN1LMNA
SCHEMBL29559633 0.91 ACE (0.62) ERAP2MAGI3KDM4EMAPTMEN1
SCHEMBL31171635 0.91 CASP1 (0.55) ERAP2MAGI3KDM4EMAPTMEN1
SCHEMBL29638036 0.90 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL29362572 0.90 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL21641804 0.90 KDM4E (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL9822472 0.90 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
Send feedback