SCHEMBL7769435

SCHEMBL7769435

O=C(CBr)Nc1ccc(C(=O)O)c(N2C(=O)CCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
ALOX12 P18054 1/20 0.41
CHRM1 P11229 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GRM4 Q14833 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 2/20 0.35
ATAD2 Q6PL18 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
STAT3 P40763 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL43927 0.87 KDM4E (0.40) ALDH1A1ALOX12KDM4EGRM4MEN1
SCHEMBL27471377 0.82 MYC (0.51) ALDH1A1KDM4EGRM4TP53POLB
Hydrochloric Acid SCHEMBL21800936 0.79 GRM4 (0.39) ALDH1A1KDM4EGRM4MEN1KMT2A
SCHEMBL567033 0.76 KDM4E (0.38) ALDH1A1KDM4EGRM4MEN1KMT2A
SCHEMBL9596295 0.76 CA12 (0.39) ALDH1A1KDM4EKMT2AMAPTTP53
SCHEMBL22344998 0.75 CHRM1 (0.35) ALDH1A1ALOX12CHRM1KDM4EKDM4C
SCHEMBL6887707 0.72 CA12 (0.48) ALDH1A1KMT2ATP53POLBHSD17B10
SCHEMBL317703 0.71 KEAP1 (0.43) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL31653832 0.71 KEAP1 (0.43) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL317626 0.71 CA12 (0.42) KDM4EGRM4KMT2ATP53HPGD

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
EP-0587639-B1 PHARMACEUTICAL COMPOSITIONS LIPOXEN LTD (GB) 2001-08-16 EP disclosed
US-5846951-A Pharmaceutical compositions THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 1998-12-08 US disclosed
EP-0587639-A1 PHARMACEUTICAL COMPOSITIONS THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 1994-03-23 EP disclosed
WO-1992022331-A1 PHARMACEUTICAL COMPOSITIONS THE SCHOOL OF PHARMACY (GB) 1992-12-23 WO disclosed