SCHEMBL8907826

SCHEMBL8907826

CC(N)C(CCCOc1ccc(Oc2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
PPARA Q07869 11/20 0.50
PPARD Q03181 8/20 0.50
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.44
PPARG P37231 5/20 0.43
RARB P10826 1/20 0.43
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL8642303 0.90 PPARG (0.52) LTA4HPPARAPPARDMAPK1PPARG
SCHEMBL8907594 0.87 LTA4H (0.51) LTA4HPPARAPPARDPPARGRARB
SCHEMBL8644115 0.80 LTA4H (0.51) LTA4H
SCHEMBL7115531 0.78 KDM4E (0.54) LTA4HKDM4ESMN1; SMN2HTTFAAH
SCHEMBL10877407 0.74 LTA4H (0.52) LTA4HPPARAPPARDKDM4ESMN1; SMN2
SCHEMBL7118378 0.74 KDM4E (0.50) LTA4HPPARAPPARDKDM4ESMN1; SMN2
SCHEMBL8641130 0.73 LTA4H (0.56) LTA4HPPARASMN1; SMN2PPARGHTT
SCHEMBL13251237 0.72 TDP1 (0.53) KDM4ESMN1; SMN2MAPK1RARBHTT
SCHEMBL6056484 0.72 MAPK1 (0.43) LTA4HPPARAPPARDKDM4ESMN1; SMN2
Bromide SCHEMBL6049707 0.71 LTA4H (0.57) LTA4HPPARAPPARDPPARG

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-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed