SCHEMBL7314969

SCHEMBL7314969

BrCc1[c]c(Oc2ccccc2)ccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.39
TSHR P16473 2/20 0.39
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
MAOA P21397 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.32
PGR P06401 1/20 0.32
PLA2G2A P14555 1/20 0.32
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL1451346 0.80 LTA4H (0.55) LTA4HTSHRMAOBKDM4EGLA
SCHEMBL8166466 0.77 LTA4H (0.35) LTA4HTSHRMAOBKDM4EGLA
SCHEMBL7312733 0.75 SMN1; SMN2 (0.32) KDM4EALDH1A1
SCHEMBL6003349 0.74 LTA4H (0.48) LTA4HTSHRMAOBKDM4EGLA
SCHEMBL10337545 0.72 LTA4H (0.46) LTA4HTSHRMAOBKDM4EGLA
SCHEMBL11612858 0.72 TRPA1 (0.36) TSHRTRPA1ALDH1A1
SCHEMBL7313642 0.72 NQO1 (0.33) LTA4HALDH1A1
SCHEMBL7307448 0.72 PGR (0.35) MAPTALDH1A1PGRHDAC8
SCHEMBL6845975 0.71 MAOA (0.50) LTA4HTSHRMAOBKDM4EGLA
SCHEMBL18274775 0.71 LTA4H (0.50) LTA4HTSHRMAOBKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634396-B1 Amino acid derivatives and their use as inhibitors of encephalinase BIOPROJET SOC CIV (FR) 1998-10-28 EP disclosed
EP-0634396-A1 Amino acid derivatives and their use as inhibitors of encephalinase SOCIETE CIVILE BIOPROJET (FR) 1995-01-18 EP disclosed