SCHEMBL3998764

SCHEMBL3998764

CCOC(=O)C1CC(C)(C)C(=O)N1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 5/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL903473 0.83 MAPT (0.37) TSHRMAPTALDH1A1TP53KDM4E
SCHEMBL1270274 0.83 MAPT (0.37) TSHRMAPTALDH1A1TP53KDM4E
SCHEMBL3998769 0.81 TSHR (0.36) TSHRTP53L3MBTL1MEN1GAA
SCHEMBL25191422 0.78 ACE (0.36) MAPTHTTMEN1KMT2A
SCHEMBL25191423 0.78 ACE (0.36) MAPTHTTMEN1KMT2A
SCHEMBL2954472 0.73 ACE (0.42) MAPTALDH1A1MEN1KMT2A
SCHEMBL29191657 0.71 ALDH1A1 (0.39) MAPTALDH1A1TP53KDM4EMEN1
SCHEMBL14486939 0.71 ALDH1A1 (0.40) TSHRMAPTALDH1A1KDM4EMEN1
SCHEMBL18396801 0.71 PPM1B (0.43) MAPTALDH1A1KDM4EGAAALOX15
SCHEMBL4005436 0.70 FKBP1A (0.36) MAPTALDH1A1GAA

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-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 EP disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed