SCHEMBL5889383

SCHEMBL5889383

CCC[N+]([O-])(CCO)CCO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
SLC22A1 O15245 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LSS P48449 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7600647 0.86 DNM1 (0.54) DNM1LMNAMEN1KMT2ACYP3A4
SCHEMBL3789647 0.84 SLC22A1 (0.47) DNM1CYP3A4SLC22A1ALDH1A1TSHR
SCHEMBL6855724 0.84 MEN1 (0.39) LMNAMEN1KMT2ACYP3A4SLC5A7
SCHEMBL474347 0.83 DNM1 (0.44) DNM1LMNAMEN1KMT2ASLC22A1
SCHEMBL6272680 0.83 DNM1 (0.44) DNM1LMNAMEN1KMT2ASLC22A1
SCHEMBL16673427 0.81 MEN1 (0.37) LMNAMEN1KMT2ACYP3A4SLC5A7
SCHEMBL28625794 0.81 MEN1 (0.37) LMNAMEN1KMT2ACYP3A4SLC5A7
SCHEMBL5244964 0.79 DNM1 (0.58) DNM1LMNAMEN1KMT2ACYP3A4
SCHEMBL68251 0.79 DNM1 (0.58) DNM1LMNAMEN1KMT2ACYP3A4
SCHEMBL10933706 0.79 DNM1 (0.58) DNM1LMNAMEN1KMT2ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041177-B2 High temperature rapid soil removal method ECOLAB INC. (US) 2006-05-09 US disclosed
US-20040033919-A1 High temperature rapid soil removal method ECOLAB INC. (US) 2004-02-19 US disclosed