SCHEMBL6511218

SCHEMBL6511218

C=CC(=O)NCCCCCCCCCCC(=O)Oc1ccc([S+](C)C)cc1.COS(=O)(=O)[O-]

nearest known ligand 0.38

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 13)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 2/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
TGM2 P21980 3/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 2/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
MGLL Q99685 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
SCHEMBL6514850 0.86 KMT2A (0.36) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL1679233 0.85 ZDHHC2 (0.40) ZDHHC2ZDHHC20TGM2EPHX2MGLL
SCHEMBL7901795 0.84 ALDH1A1 (0.45) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL9407113 0.81 KMT2A (0.48) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL10521222 0.81 KMT2A (0.48) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL9647538 0.79 KMT2A (0.43) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL9487568 0.76 THRB (0.44) TGM2KMT2AALDH1A1LMNAMAPT
SCHEMBL7903508 0.71 ALDH1A1 (0.44) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL31447344 0.71 KMT2A (0.57) KMT2AALDH1A1LMNAMAPTHTT
Trifluoromethanesulfonic Acid SCHEMBL31564973 0.70 KMT2A (0.46) KMT2A

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
US-20050151286-A1 Gradient refrective-index plastic rod and method for making the same NATIONAL CHENG KUNG UNIVERSITY (TW) 2005-07-14 US disclosed