SCHEMBL17681908

SCHEMBL17681908

CCC(O)c1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
HIF1A Q16665 2/20 0.50
AR P10275 2/20 0.49
LMNA P02545 3/20 0.47
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 4/20 0.40
FFAR1 O14842 1/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL376300 0.87 HIF1A (0.61) HTTHIF1AARLMNAKMT2A
SCHEMBL23992613 0.86 HTT (0.54) HTTHIF1AARLMNAKMT2A
SCHEMBL13851882 0.83 HTT (0.65) HTTHIF1AARLMNAKMT2A
SCHEMBL17702714 0.83 HIF1A (0.56) HTTHIF1AARLMNAKMT2A
SCHEMBL548356 0.82 LMNA (0.56) HTTHIF1AARLMNAKDM4E
SCHEMBL823191 0.81 HIF1A (0.55) HTTHIF1AARLMNAKMT2A
SCHEMBL13892365 0.81 HIF1A (0.55) HTTHIF1AARLMNAKMT2A
SCHEMBL11330136 0.81 LMNA (0.68) HTTHIF1AARLMNAKMT2A
SCHEMBL19757595 0.81 HIF1A (0.55) HTTHIF1AARLMNAKMT2A
SCHEMBL8462018 0.81 HIF1A (0.49) HTTHIF1AARLMNAKMT2A

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-2016055535-A1 IMPROVEMENTS IN OR RELATING TO STRUCTURAL ADHESIVES ZEPHYROS, INC. (US) 2016-04-14 WO disclosed