SCHEMBL23926879

SCHEMBL23926879

CCCCC(C(=O)O)C(=O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 4/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
TBXAS1 P24557 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.49
APP P05067 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
PLOD2 O00469 1/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL5160451 0.87 L3MBTL1 (0.47) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL5162022 0.84 ALDH1A1 (0.55) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL27623816 0.84 TBXAS1 (0.57) TBXAS1
SCHEMBL28824428 0.83 TBXAS1 (0.45) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL9356287 0.82 MDM2 (0.52) ALDH1A1NPC1POLBMAPTSMN1; SMN2
SCHEMBL22361431 0.82 LMNA (0.55) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL22129580 0.82 L3MBTL1 (0.51) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL6900351 0.82 ALDH1A1 (0.51) LMNAHDAC3HDAC1HDAC2TBXAS1
Niacin SCHEMBL28302152 0.79 ALDH1A1 (0.66) L3MBTL1LMNAHDAC3HDAC1HDAC2
SCHEMBL5160445 0.79 LMNA (0.48) L3MBTL1LMNAHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3900693-B1 USE OF A RESIN COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2024-03-20 EP disclosed
EP-3900693-A1 RESIN COMPOSITION FOR OPTICAL MOLDING Kuraray Noritake Dental Inc. (JP) 2021-10-27 EP disclosed