SCHEMBL28864342

SCHEMBL28864342

CCC(C)(C)C(=O)[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.51
MAPT P10636 1/20 0.45
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 2/20 0.39
FFAR1 O14842 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28864344 1.00 RIPK1 (0.51) RIPK1MAPTGABBR2GABBR1ALDH1A1
SCHEMBL13446248 0.81 RIPK1 (0.49) RIPK1GAALMNAHSD17B10MEN1
SCHEMBL23344877 0.79 RIPK1 (0.53) RIPK1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL9736992 0.78 GABBR2 (0.53) MAPTGABBR2GABBR1ALDH1A1GAA
SCHEMBL13594310 0.77 RIPK1 (0.51) RIPK1LMNAMEN1KMT2A
Butane SCHEMBL10411229 0.77 GABBR2 (0.48) MAPTGABBR2GABBR1ALDH1A1GAA
SCHEMBL13351981 0.76 RIPK1 (0.50) RIPK1MAPTLMNA
SCHEMBL25512616 0.76 RIPK1 (0.50) RIPK1MAPTL3MBTL1LMNAPOLB
SCHEMBL29028831 0.76 GABBR2 (0.44) MAPTGABBR2GABBR1ALDH1A1GAA
SCHEMBL5918594 0.75 GABBR2 (0.47) MAPTGABBR2GABBR1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 CN disclosed