SCHEMBL28640914

SCHEMBL28640914

O=P(CCCl)(OC1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL576180 0.78 ACHE (0.46) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL28831296 0.78 ACHE (0.41) ACHENPSR1MEN1KMT2A
SCHEMBL575610 0.78 ACHE (0.42) ACHENPSR1MEN1KMT2AALDH1A1
SCHEMBL575433 0.74 ACHE (0.38) ACHE
Hydrochloric Acid SCHEMBL29133225 0.74 NAAA (0.44) ACHE
SCHEMBL6351871 0.71 ACHE (0.45) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL575288 0.70 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL575103 0.70 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL6361086 0.70 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL1913740 0.68 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA

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-113372383-B Preparation method of organic phosphate compound 中南大学 2022-08-02 CN disclosed
CN-113372383-A Preparation method of organic phosphate compound 中南大学 2021-09-10 CN disclosed