SCHEMBL29165752

SCHEMBL29165752

CCCCCCCCCCCCCCCC[N+](C)(C)C(CC)CCCCC.COS(=O)(=O)[O-]

nearest known ligand 0.39

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 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
NR1I2 O75469 1/20 0.36
LSS P48449 1/20 0.36
DNM1 Q05193 8/20 0.34
HTT P42858 1/20 0.34
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
RAD52 P43351 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33

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
SCHEMBL7184129 1.00 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
Sulfuric Acid SCHEMBL29240424 0.90 LSS (0.41) NR1I2LSSDNM1HTTPSMD14
SCHEMBL28952158 0.84 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
SCHEMBL26924194 0.83 RECQL (0.43) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10276873 0.83 RECQL (0.43) RECQLGLAHPGDTSHRMAPK1
SCHEMBL18040938 0.83 BBOX1 (0.47) RECQLGLAHPGDTSHRMAPK1
Hydrochloric Acid SCHEMBL29275063 0.81 DNM1 (0.50) LSSDNM1HTTPLA2G1BATG4B
Hydrochloric Acid SCHEMBL28970145 0.81 DNM1 (0.50) LSSDNM1HTTPLA2G1BATG4B
Hydrochloric Acid SCHEMBL29275046 0.81 DNM1 (0.50) LSSDNM1HTTPLA2G1BATG4B
Hydrochloric Acid SCHEMBL252214 0.81 DNM1 (0.50) LSSDNM1HTTPLA2G1BATG4B

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-117355290-A Hair coloring composition for reducing color loss 路博润先进材料公司 2024-01-05 CN disclosed