SCHEMBL8772200

SCHEMBL8772200

COC(=O)CCC(=O)Cc1cccc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.39
PGK1 P00558 1/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL17112818 0.88 FAAH (0.38) ALDH1A1HPGDPOLBMAPTHSD17B10
SCHEMBL30106103 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AHPGDPOLBMAPT
SCHEMBL15709960 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AHPGDPOLBMAPT
SCHEMBL23599140 0.83 KDM4E (0.46) ALDH1A1LMNAKMT2AHPGDPOLB
SCHEMBL28126596 0.81 FAAH (0.41) ALDH1A1HPGDKDM4EPGK1TSHR
SCHEMBL9146179 0.79 HPGD (0.45) ALDH1A1LMNAHPGDMAPTKDM4E
SCHEMBL17441070 0.78 NPSR1 (0.34) ALDH1A1KMT2AHPGDCYP1A2CYP2C19
SCHEMBL17440956 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL13269959 0.75 NPSR1 (0.42) ALDH1A1HPGDHSD17B10FAAHSIRT2
SCHEMBL12411040 0.75 FAAH (0.37) ALDH1A1HPGDPOLBHTTHSD17B10

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-0801061-A2 Leucotrien-B4 derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-15 EP disclosed
US-5614634-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5440044-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
EP-0477311-A1 NEW LEUCOTRIENE B 4? DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed
WO-1991014676-A1 NEW LEUCOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-10-03 WO disclosed