SCHEMBL8889730

SCHEMBL8889730

CCC([C]=O)Oc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PLA2G7 Q13093 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL8888658 0.83 ACHE (0.37) ALDH1A1NPSR1PPARGPPARASMN1; SMN2
SCHEMBL8889815 0.81 LDHA (0.43) ALDH1A1NPSR1PPARGPPARATDP1
SCHEMBL945944 0.81 CHRM1 (0.41) ALDH1A1NPSR1PPARGPPARATDP1
SCHEMBL23091404 0.79 PPARG (0.43) PPARGPPARASMN1; SMN2
SCHEMBL8888296 0.79 SMN1; SMN2 (0.41) ALDH1A1TDP1SMN1; SMN2TP53MAPT
SCHEMBL7795001 0.75 NR5A1 (0.51) TP53
SCHEMBL13265662 0.72 ALDH1A1 (0.44) ALDH1A1NPSR1PPARGPPARATDP1
SCHEMBL8889564 0.72 MRGPRX4 (0.39) PPARG
SCHEMBL4258180 0.71 ALDH1A1 (0.43) ALDH1A1NPSR1PPARGPPARATDP1
SCHEMBL10460179 0.71 SLC6A4 (0.42) ALDH1A1NPSR1PPARGPPARATDP1

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