SCHEMBL30481908

SCHEMBL30481908

CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)N(C)Cc1ccccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CASP1 P29466 1/20 0.39
NLRP3 Q96P20 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LPAR1 Q92633 2/20 0.34
LIPE Q05469 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL25376641 0.94 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CASP1NLRP3
SCHEMBL25376750 0.88 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CASP1NLRP3
SCHEMBL25376068 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL25377835 0.74 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL25377037 0.73 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7790927 0.71 RAB9A (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL25376911 0.68 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3159839 0.67 NLRP3 (0.41) SLC6A2SLC6A4SLC6A3CASP1NLRP3
SCHEMBL681660 0.65 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4497637 0.65 CYP1A2 (0.40) NLRP3MEN1KMT2ASMN1; SMN2ALDH1A1

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-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed