SCHEMBL30007225

SCHEMBL30007225

C[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.53
EPHX2 P34913 1/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
KIF11 P52732 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL26687939 1.00 NR1H4 (0.53) NR1H4EPHX2MAPTALDH1A1LMNA
SCHEMBL31745865 0.84 NR3C2 (0.50) NR1H4MAPTALDH1A1LMNAGAA
SCHEMBL735333 0.84 MMP2 (0.53) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL943656 0.84 MMP2 (0.53) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9153423 0.82 CYP2D6 (0.40) NR1H4EPHX2MAPTALDH1A1LMNA
SCHEMBL11197943 0.82 NR1H4 (0.50) NR1H4EPHX2MAPTALDH1A1NPC1
SCHEMBL11197937 0.82 NR1H4 (0.50) NR1H4EPHX2MAPTALDH1A1NPC1
SCHEMBL6495352 0.80 SMN1; SMN2 (0.57) LMNANPSR1SMN1; SMN2HTT
SCHEMBL6495349 0.80 SMN1; SMN2 (0.57) LMNANPSR1SMN1; SMN2HTT
SCHEMBL7089012 0.79 CA12 (0.47) NR1H4MAPTALDH1A1LMNAGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022240758-A1 COMPOSITIONS AND METHODS FOR MODULATING GENE EXPRESSION ENTRADA THERAPEUTICS, INC. (US) 2022-11-17 WO claimed
CN-117362188-B Synthesis method of alpha-substituted deuterated amino acid ester 广州医科大学 2025-05-20 CN disclosed
EP-4522221-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACID THERAPEUTICS Entrada Therapeutics, Inc. (US) 2025-03-19 EP disclosed
CN-117362188-A Synthesis method of alpha-substituted deuterated amino acid ester 广州医科大学 2024-01-09 CN disclosed
WO-2023219933-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACID THERAPEUTICS ENTRADA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed