SCHEMBL17547609

SCHEMBL17547609

CC/C=C\CC1OC1CC1OC1CCCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.45
F7 P08709 3/20 0.45
F3 P13726 3/20 0.45
CYP19A1 P11511 3/20 0.45
OXER1 Q8TDS5 2/20 0.45
PTGS1 P23219 2/20 0.45
PPARG P37231 2/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 2/20 0.45
RECQL P46063 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
FFAR1 O14842 1/20 0.45
NR1I2 O75469 1/20 0.45

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
SCHEMBL3742728 1.00 MAPT (0.50) MAPTALDH1A1F7F3CYP19A1
SCHEMBL6244558 0.96 MAPT (0.54) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3742740 0.91 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL5374521 0.91 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3742738 0.91 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL17547604 0.90 MAPT (0.54) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3746335 0.90 MAPT (0.54) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3746928 0.89 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3746337 0.89 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL13442938 0.89 CNR1 (0.41) MAPTALDH1A1F7F3CYP19A1

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