SCHEMBL28142170

SCHEMBL28142170

CC[CH]CC(C)OCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 8/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 5/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.33
TP53 P04637 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HIF1A Q16665 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL93383 0.78
SCHEMBL14427209 0.78 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Benzene SCHEMBL8045689 0.77 TDP1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL23544784 0.76 TSHR (0.35) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL6310703 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL6303425 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27920160 0.75 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL8628985 0.75 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL9918912 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL27971217 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105086446-B Polymer composition, aligning agent for liquid crystal, liquid crystal orientation film, liquid crystal display element and its manufacturing method and polymer JSR株式会社 2018-08-24 CN disclosed
CN-103289711-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display device JSR株式会社 2017-04-12 CN disclosed