SCHEMBL6232160

SCHEMBL6232160

NC(=O)CC[C@H](NC(=O)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.41
ACE P12821 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
FOLH1 Q04609 2/20 0.40
IDO1 P14902 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL6140066 0.90 FOLH1 (0.50) MMEECE1ACEFOLH1
SCHEMBL10420029 0.86 TACR1 (0.41) POLBKMT2AACEIDO1
SCHEMBL28993693 0.84 MME (0.56) MMEECE1SMN1; SMN2CTSK
SCHEMBL29682481 0.84 MME (0.56) MMEECE1SMN1; SMN2CTSK
SCHEMBL4919342 0.84 MME (0.56) MMEECE1SMN1; SMN2CTSK
SCHEMBL4919347 0.84 MME (0.56) MMEECE1SMN1; SMN2CTSK
SCHEMBL5553739 0.84 ECE1 (0.46) ECE1
SCHEMBL24978636 0.83 TACR1 (0.56) MMEECE1SMN1; SMN2POLBKMT2A
SCHEMBL7046063 0.83 TACR1 (0.56) MMEECE1SMN1; SMN2POLBKMT2A
Hydrochloric Acid SCHEMBL5548318 0.83 ECE1 (0.46) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307446-B1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AG (DE) 2005-04-20 EP disclosed
EP-1307236-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
EP-1307446-A1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
WO-2002013874-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
WO-2002014309-A1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed