SCHEMBL8886871

SCHEMBL8886871

[CH2]C(CC)Oc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.34
IDO1 P14902 2/20 0.34
LMNA P02545 2/20 0.34
MAOB P27338 1/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL8886735 0.81 ACHE (0.41) TDP1PPARGPPARAMEN1KMT2A
SCHEMBL28306045 0.79 LTA4H (0.44) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL8995789 0.79 PPARA (0.40) SLC6A4PPARGPPARAGAANPSR1
SCHEMBL8890078 0.79 ALDH1A1 (0.40) SLC6A4TDP1PPARGPPARAALDH1A1
SCHEMBL25331886 0.78 SLC6A4 (0.39) SLC6A4KDM4EPPARGPPARAALDH1A1
SCHEMBL3468664 0.78 SLC6A4 (0.39) SLC6A4KDM4EPPARGPPARAALDH1A1
SCHEMBL12953262 0.78 LDHA (0.45) LDHASLC6A4KDM4ETDP1MAPK1
SCHEMBL9966866 0.77 LDHA (0.44) LDHASLC6A4KDM4ETDP1MEN1
SCHEMBL28334987 0.77 LDHA (0.44) LDHASLC6A4KDM4ETDP1MEN1
SCHEMBL8887243 0.76 MAPT (0.41) KDM4ETDP1MAPK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed