SCHEMBL29109686

SCHEMBL29109686

C=C(C(=O)OCC)N1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 4/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 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
SCHEMBL2034265 1.00 ALDH1A1 (0.41) ALDH1A1TSHRMAPTHPGDL3MBTL1
SCHEMBL21925345 0.98 ALDH1A1 (0.42) ALDH1A1TSHRMAPTHPGDL3MBTL1
SCHEMBL465145 0.90 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL27777215 0.85 L3MBTL1 (0.41) ALDH1A1TSHRHPGDL3MBTL1SMN1; SMN2
SCHEMBL21925353 0.83 L3MBTL1 (0.39) ALDH1A1TSHRHPGDL3MBTL1SMN1; SMN2
SCHEMBL3134341 0.81 TSHR (0.62) ALDH1A1TSHRMAPTHPGDL3MBTL1
SCHEMBL29049790 0.81 MAPT (0.39) ALDH1A1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL1819086 0.80 MAPT (0.61) ALDH1A1TSHRMAPTHPGDL3MBTL1
SCHEMBL28966044 0.78 DPP7 (0.36) ALDH1A1TSHRHPGDL3MBTL1NPC1
SCHEMBL6331933 0.78 MAPT (0.62) ALDH1A1TSHRMAPTHPGDL3MBTL1

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
CN-117089028-A Organic fluorine/silicon modified acrylic resin, method for producing same, antifouling composition containing same, and use thereof 大金氟化工(中国)有限公司 2023-11-21 CN disclosed