SCHEMBL3998769

SCHEMBL3998769

CCOC(=O)N1C(=O)C(C)(C)CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
ELANE P08246 1/20 0.34
KMT2A Q03164 2/20 0.34
MITF O75030 2/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
ACE P12821 2/20 0.33
TP53 P04637 1/20 0.33
P2RX7 Q99572 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
SCHEMBL25191423 0.81 ACE (0.36) KMT2AMEN1ACEP2RX7
SCHEMBL25191422 0.81 ACE (0.36) KMT2AMEN1ACEP2RX7
SCHEMBL3998764 0.81 TSHR (0.36) TSHRGAAL3MBTL1ELANEKMT2A
SCHEMBL16584604 0.80 EPHX2 (0.36) THRB
SCHEMBL1270274 0.77 MAPT (0.37) TSHRGAAELANEKMT2AMEN1
SCHEMBL903473 0.77 MAPT (0.37) TSHRGAAELANEKMT2AMEN1
SCHEMBL2581443 0.73 P2RX7 (0.49) L3MBTL1KMT2AACEP2RX7
SCHEMBL2581442 0.73 P2RX7 (0.49) L3MBTL1KMT2AACEP2RX7
SCHEMBL2954476 0.71 ACE (0.54) TSHRGAAL3MBTL1THRBATM
SCHEMBL10367039 0.71 POLB (0.37) TSHRGAAPOLBL3MBTL1THRB

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