SCHEMBL28743565

SCHEMBL28743565

CCN(CC)CC(C)O.COS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL444614 0.80 NPSR1 (0.36) TSHRNPSR1
SCHEMBL9160 0.80
SCHEMBL15839414 0.80
SCHEMBL9637735 0.80
SCHEMBL15834095 0.80
SCHEMBL2550545 0.79
SCHEMBL28420946 0.79 KCNA5 (0.30)
SCHEMBL2507765 0.79 MEN1 (0.30) KMT2A
Water SCHEMBL28211091 0.78 TSHR (0.42) L3MBTL1KMT2AATMTSHRRECQL
Hydrochloric Acid SCHEMBL29012664 0.78 TSHR (0.42) L3MBTL1KMT2AATMTSHRRECQL

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-114555771-A Antimicrobial particles 宝洁公司 2022-05-27 CN disclosed