SCHEMBL29165751

SCHEMBL29165751

CCCCCCCCCCCCCCCCC[N+](C)(CC)CCCCCC.COS(=O)(=O)[O-]

nearest known ligand 0.44

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 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.44
BLM P54132 1/20 0.44
DNM1 Q05193 11/20 0.42
HTT P42858 2/20 0.42
LSS P48449 1/20 0.42
KMT2A Q03164 1/20 0.42
HSP90AA1 P07900 1/20 0.41
RAD52 P43351 1/20 0.41
SLC22A1 O15245 1/20 0.38

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
SCHEMBL28813277 1.00 RECQL (0.44) RECQLGLAHPGDTSHRMAPK1
SCHEMBL27780849 0.96 RECQL (0.44) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28881714 0.94 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL6708024 0.92 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2995385 0.92 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4665831 0.92 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10588897 0.92 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL11290328 0.92 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
SCHEMBL30954840 0.92 DNM1 (0.44) RECQLGLAHPGDTSHRMAPK1
SCHEMBL29281610 0.92 DNM1 (0.44) RECQLGLAHPGDTSHRMAPK1

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