SCHEMBL6861799

SCHEMBL6861799

CC(Br)C(=O)NCCCCCCCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.58
PRMT1 Q99873 1/20 0.57
PLA2G2A P14555 1/20 0.49
MAPK1 P28482 1/20 0.47
EPHX2 P34913 10/20 0.45
PLA2G4A P47712 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
ALDH1A2 O94788 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH1A3 P47895 1/20 0.44

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
SCHEMBL3675888 0.88 ALDH1A1 (0.54) MAPK1LMNAALDH1A2ALDH1A1ALDH2
SCHEMBL5519706 0.86 ALDH1A2 (0.50) MAPK1TSHRALDH1A2ALDH1A1ALDH2
SCHEMBL27052896 0.85 ADRA1A (0.62) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL9829389 0.85 ADRA1A (0.62) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL6853455 0.84 ECE1 (0.56) PLA2G2ALMNAALDH1A1
SCHEMBL9830431 0.82 ADRA1A (0.59) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL8390709 0.81 ADRA1A (0.58) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL31188655 0.81 EPHX1 (0.57)
SCHEMBL18025977 0.80 ADRA1A (0.56) ADRA1APRMT1PLA2G2AMAPK1EPHX2
SCHEMBL16401723 0.80 PRMT1 (0.55) ADRA1APRMT1PLA2G2AMAPK1EPHX2

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-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
WO-1998024774-A1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 WO disclosed