SCHEMBL6860583

SCHEMBL6860583

CC(Br)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MME P08473 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
POLB P06746 1/20 0.40
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
SDCBP O00560 2/20 0.37
SDC2 P34741 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6860582 1.00 FPR2 (0.43) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL3045357 0.81 ALDH1A1 (0.46) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL1734807 0.81 ALDH1A1 (0.46) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL16481929 0.79 SMN1; SMN2 (0.44) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL6376785 0.79 TP53 (0.46) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL29851772 0.79 TP53 (0.46) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL595438 0.77 DPP4 (0.48) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL14624745 0.77 SLC7A5 (0.48) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL6468863 0.77 ACE (0.53) FPR2ALDH1A1SMN1; SMN2MMELMNA
SCHEMBL595439 0.77 DPP4 (0.48) FPR2ALDH1A1SMN1; SMN2MMELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946525-B1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AG (DE) 2004-04-07 EP disclosed
EP-0946526-B1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AG (DE) 2003-10-29 EP disclosed
US-6045776-A Process for the production of metal-complex carboxylic acid amides SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-04 US disclosed
EP-0946526-A1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
EP-0946525-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
US-5919433-A NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed
WO-1998024774-A1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 WO disclosed
WO-1998024775-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 WO disclosed