SCHEMBL29512602

SCHEMBL29512602

C=C(C)C(=O)OCCOc1ccc(-c2nc(-c3ccccc3OCC)nc(-c3ccccc3OCC)n2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.44
▸ KMT2A Q03164 11/20 0.44
▸ MAPT P10636 11/20 0.44
▸ LMNA P02545 8/20 0.44
▸ NPSR1 Q6W5P4 8/20 0.44
▸ ALOX12 P18054 6/20 0.44
▸ TP53 P04637 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ HTT P42858 4/20 0.44
▸ USP2 O75604 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 4/20 0.43
▸ MAPK1 P28482 6/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ ATM Q13315 1/20 0.39

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
SCHEMBL16191954 1.00 MEN1 (0.44) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL28737904 0.95 MEN1 (0.42) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL17835327 0.92 HTT (0.42) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL29512503 0.91 MAPT (0.48) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL16191348 0.91 MAPT (0.48) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL16191553 0.88 HTT (0.42) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL29512635 0.88 HTT (0.42) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3839927 0.86 POLB (0.43) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL23214332 0.86 MAPT (0.46) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL16191361 0.86 THRB (0.48) MEN1KMT2AMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450375-B Adhesive composition 住友化学株式会社 2024-10-25 — — CN disclosed
CN-114502680-B Adhesive composition 住友化学株式会社 2023-12-01 — — CN disclosed
CN-114502680-A Adhesive composition 住友化学株式会社 2022-05-13 — — CN disclosed
CN-114450375-A Adhesive composition 住友化学株式会社 2022-05-06 — — CN disclosed
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