SCHEMBL13952879

SCHEMBL13952879

CCC(N)(CC)CCOCCOCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C(CC)(CC)COCCOCCN)C4=O)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL13159369 0.81 ALDH1A1 (0.58) ALDH1A1TSHRCA1CA2CA4
SCHEMBL12643815 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCA1CA2CA4
SCHEMBL12643812 0.69 ALDH1A1 (0.55) ALDH1A1TSHRCA1CA2CA4
SCHEMBL26349218 0.67 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2POLBENPP2
SCHEMBL12643813 0.65 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2POLBENPP2
SCHEMBL12317642 0.64 GAA (0.51) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL10126593 0.64 GAA (0.51) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL13159438 0.64 ALDH1A1 (0.63) ALDH1A1TSHRCA1CA2CA4
SCHEMBL13159360 0.64 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2POLBENPP2
SCHEMBL17946077 0.63 ALDH1A1 (0.75) ALDH1A1TSHRSMN1; SMN2POLBENPP2

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-2009016083-A1 DEGRADATION ACCELERATOR FOR POLYMERS AND POLYMER ARTICLE COMPRISING IT BASF SE (CH) 2009-02-05 — — WO disclosed
Send feedback