SCHEMBL7306129

SCHEMBL7306129

CCN(CC)C(=O)c1ccc(OC)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
TSHR P16473 5/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
PDE4B Q07343 1/20 0.44
KMT2A Q03164 3/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7291892 0.82 NPC1 (0.55) TSHRLMNAHPGDKMT2AMEN1
SCHEMBL29175212 0.81 KMT2A (0.49) LMNAKMT2AKDM4E
SCHEMBL28899309 0.80 NPC1 (0.58) EPHX2TSHRLMNAHPGDGAA
SCHEMBL1983309 0.80 AKR1C3 (0.53) EPHX2HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL4470608 0.79 GAA (0.49) GAAMCOLN3NPSR1KDM4EALDH1A1
SCHEMBL4465339 0.79 MLYCD (0.43) TSHRLMNAHPGDGAAMCOLN3
SCHEMBL9149114 0.79 TSHR (0.50) TSHRLMNAHPGDKMT2AMEN1
SCHEMBL1536288 0.79 HTT (0.55) TSHRLMNAHPGDKMT2AMEN1
SCHEMBL3394380 0.79 ALDH1A1 (0.59) EPHX2TSHRLMNAHPGDGAA
SCHEMBL22979384 0.77 KDM4E (0.51) EPHX2HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597841-A 2-saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP, INC. (US) 1997-01-28 US disclosed
EP-0594257-B1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC (US) 1996-07-10 EP disclosed
US-5512589-A TREATING DEGENERATIVE DISEASES STERLING WINTHROP INC. (US) 1996-04-30 US disclosed
US-5306818-A Treating degenerative diseases such as emphysema, rheumatoid arthritis and pancreatitis STERLING WINTHROP INC. (US) 1994-04-26 US disclosed