SCHEMBL17547604

SCHEMBL17547604

CCC1OC1C/C=C\CC1OC1CCCCCCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
F7 P08709 4/20 0.41
F3 P13726 4/20 0.41
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP19A1 P11511 3/20 0.41
BLM P54132 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 2/20 0.41
PTGS1 P23219 2/20 0.41
RECQL P46063 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
OXER1 Q8TDS5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
FFAR1 O14842 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
SCHEMBL3746335 1.00 MAPT (0.54) MAPTF7F3PPARGPPARD
SCHEMBL6244558 0.94 MAPT (0.54) MAPTF7F3PPARGPPARD
SCHEMBL2482201 0.90 GPR84 (0.48) PPARGPPARDPPARAALDH1A1HSD17B10
SCHEMBL11538646 0.90 GPR84 (0.48) PPARGPPARDPPARAALDH1A1HSD17B10
SCHEMBL3742738 0.90 MAPT (0.60) MAPTF7F3PPARGPPARD
SCHEMBL3742728 0.90 MAPT (0.50) MAPTF7F3PPARGPPARD
SCHEMBL5374521 0.90 MAPT (0.60) MAPTF7F3PPARGPPARD
SCHEMBL3742740 0.90 MAPT (0.60) MAPTF7F3PPARGPPARD
SCHEMBL17547609 0.90 MAPT (0.50) MAPTF7F3PPARGPPARD
SCHEMBL3702490 0.88 MAPT (0.69) MAPTF7F3PPARGPPARD

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
WO-2016033605-A1 IMPROVED ASPHALT PRODUCTS AND MATERIALS AND METHODS OF PRODUCING THEM IOWA STATE UNIVERSITY RESEARCH FOUNDATION INC. (US) 2016-03-03 WO disclosed