SCHEMBL29254239

SCHEMBL29254239

NCCNCC(=O)OCCO.[NaH].[NaH].[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
MGLL Q99685 1/20 0.35
LTA4H P09960 4/20 0.35
ALDH1A1 P00352 3/20 0.33
CA12 O43570 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL876586 0.82 CA1 (0.36) MAOAMAOBCA1CA2LTA4H
SCHEMBL10778073 0.81 TSHR (0.41) ACHECA1CA2MGLLLTA4H
SCHEMBL11232987 0.81 ALDH1A1 (0.41) ACHEMAOAMAOBCA1CA2
SCHEMBL11378572 0.81 CA12 (0.39) ACHECA1CA2MGLLLTA4H
SCHEMBL11223483 0.79 NAAA (0.46) ACHELTA4HALDH1A1MAPTTHRB
SCHEMBL11221404 0.77 NAAA (0.56) ACHEALDH1A1TSHRMAPTTHRB
SCHEMBL11232005 0.77 NAAA (0.56) ACHEALDH1A1TSHRMAPTTHRB
SCHEMBL11227515 0.77 NAAA (0.56) ACHEALDH1A1TSHRMAPTTHRB
SCHEMBL5361763 0.76 CYP1A2 (0.55) MAOAMAOBLTA4HALDH1A1KMT2A
SCHEMBL11699076 0.76 CA1 (0.45) ACHECA1CA2MGLLLTA4H

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-113423470-B Cosmetic compounding agent, cosmetic, and method for producing same 三吉油脂株式会社 2024-07-09 CN disclosed