SCHEMBL8907701

SCHEMBL8907701

CCCC(C)(CC(=O)ON)Oc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.40
PPARG P37231 6/20 0.40
PPARD Q03181 5/20 0.40
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RIPK1 Q13546 1/20 0.35
SCN9A Q15858 3/20 0.34
FPR2 P25090 2/20 0.34
SOS1 Q07889 1/20 0.34
LTA4H P09960 1/20 0.33
SCN4A P35499 1/20 0.33
LIPG Q9Y5X9 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
SCHEMBL8644118 0.79 LTA4H (0.39) PPARAPPARGLTA4H
SCHEMBL8640499 0.74 LTA4H (0.41) PPARAPPARGALDH1A1LTA4H
SCHEMBL8641132 0.73 LTA4H (0.42) ALDH1A1SMN1; SMN2RIPK1LTA4H
SCHEMBL14433010 0.68 MMP9 (0.42) PPARAPPARDMMP13MMP9ALDH1A1
SCHEMBL19262085 0.67 CYP1A2 (0.37) PPARAPPARGPPARDALDH1A1RIPK1
SCHEMBL14431994 0.67 S1PR4 (0.43) PPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL5533571 0.66 PPARA (0.40) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL22967388 0.66 NPC1 (0.41) PPARAPPARGPPARDMMP13MMP1
SCHEMBL11548438 0.65 ADORA3 (0.48) PPARAPPARGPPARDALDH1A1
SCHEMBL21991259 0.65 POLB (0.47) PPARAPPARG

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