SCHEMBL370794

SCHEMBL370794

CCCC(O)CN1CCN(CCS(=O)(=O)O)CC1.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.36
ALDH1A1 P00352 5/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRB2 P07550 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3468824 0.94 ALDH1A1 (0.35) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL28510935 0.85 ALDH1A1 (0.39) KMT2ATP53ALDH1A1KDM4EMEN1
SCHEMBL555799 0.84 KMT2A (0.42) KMT2ALMNAHTTTP53ALDH1A1
Water SCHEMBL2725823 0.82 KMT2A (0.41) KMT2ALMNAHTTTP53ALDH1A1
SCHEMBL20504316 0.81 ALDH1A1 (0.40) KMT2ALMNAHTTTP53ALDH1A1
Isopropyl Alcohol SCHEMBL7567318 0.81 KMT2A (0.41) KMT2ALMNAHTTALDH1A1CHRM2
Alcohol SCHEMBL7566185 0.81 ALDH1A1 (0.41) KMT2ALMNAHTTALDH1A1CHRM2
SCHEMBL626439 0.81 ALDH1A1 (0.41) KMT2ALMNAHTTALDH1A1CHRM2
SCHEMBL2417 0.79 ALDH1A1 (0.45) KMT2ALMNAHTTALDH1A1CHRM2
SCHEMBL2229127 0.79 ALDH1A1 (0.45) KMT2ALMNAHTTALDH1A1CHRM2

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
EP-1812464-A2 INSECTIDICAL POLYPEPTIDES AND METHODS OF USE THEREOF University of Connecticut (US) 2007-08-01 EP disclosed
WO-2006052806-A2 INSECTIDICAL POLYPEPTIDES AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2006-05-18 WO disclosed