SCHEMBL28952158

SCHEMBL28952158

CCCCCCCCCCCCCC[N+](C)(C)C(C)CCCCCCCCCCCC.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
LSS P48449 1/20 0.36
TP53 P04637 1/20 0.35
DNM1 Q05193 7/20 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
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CDC25A P30304 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
SCHEMBL5439561 0.86 RECQL (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL28570773 0.85 RECQL (0.42) RECQLGLAHPGDTSHRMAPK1
SCHEMBL938334 0.85 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1
SCHEMBL29165752 0.84 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
SCHEMBL7184129 0.84 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10361507 0.83 DNM1 (0.48) LSSDNM1HTTHSP90AA1RAD52
SCHEMBL28190830 0.83 DNM1 (0.48) LSSDNM1HTTHSP90AA1RAD52
SCHEMBL924083 0.83 DNM1 (0.48) LSSDNM1HTTHSP90AA1RAD52
SCHEMBL1063760 0.83 DNM1 (0.48) LSSDNM1HTTHSP90AA1RAD52
SCHEMBL9635335 0.83 DNM1 (0.48) LSSDNM1HTTHSP90AA1RAD52

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-115703926-A Flame-retardant aromatic polycarbonate resin composition and molded product thereof 帝人株式会社 2023-02-17 CN disclosed