SCHEMBL7957645

SCHEMBL7957645

C=CCC(C)(CC)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL17090716 0.83 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL13991448 0.75 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL22096093 0.75 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL14177832 0.73 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL12064794 0.73 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL14224632 0.73 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL23340008 0.72 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL19414929 0.72 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL11744628 0.71 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL1700016 0.71 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1SMN1; SMN2TP53

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-6180691-B1 MIXING AN INK VEHICLE, A COLORANT AND A LATEX CONTAINING A POLYMER WITH EPOXY GROUPS, WHICH IS GENERATED BY POLYMERIZING A MIXTURE OF OLEFINIC MONOMERS AND AN UNSATURATED MONOMER CONTAINING EPOXIDE IN PRESENCE OF ANIONIC/NONIONIC XEROX CORPORATION 2001-01-30 US disclosed