SCHEMBL555799

SCHEMBL555799

O=S(=O)(O)CC(O)CN1CCN(CCO)CC1.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRB2 P07550 1/20 0.34
MEN1 O00255 1/20 0.33
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
Water SCHEMBL2725823 0.98 KMT2A (0.41) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL20495576 0.94 KMT2A (0.47) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL72732 0.94 KMT2A (0.47) KMT2ALMNAHTTALDH1A1KDM4E
Water SCHEMBL6936586 0.92 KMT2A (0.46) KMT2ALMNAHTTALDH1A1KDM4E
Water SCHEMBL1444204 0.92 KMT2A (0.46) KMT2ALMNAHTTALDH1A1KDM4E
Water SCHEMBL20475938 0.92 KMT2A (0.46) KMT2ALMNAHTTALDH1A1KDM4E
Water SCHEMBL72731 0.92 KMT2A (0.46) KMT2ALMNAHTTALDH1A1KDM4E
Water SCHEMBL15641759 0.89 KMT2A (0.44) KMT2ALMNAHTTALDH1A1KDM4E
Bicine SCHEMBL18227971 0.84 KMT2A (0.32) KMT2ALMNAHTTALDH1A1MEN1
SCHEMBL370794 0.84 KMT2A (0.40) KMT2ALMNAHTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114668-B2 Composition for cold storage of stem cells CARDIAC PACEMAKERS, INC. (US) 2012-02-14 US disclosed
US-20120034277-A1 RESUSCITATION FLUID VIVACELLE BIO, INC. 2012-02-09 US disclosed
US-8063020-B2 Resuscitation fluid VIVACELLE BIO, INC. 2011-11-22 US disclosed
WO-2011140519-A2 IN VIVO GELLING PHARMACEUTICAL PRE-FORMULATION MEDICUS BIOSCIENCES, LLC (US) 2011-11-10 WO disclosed
WO-2011140517-A2 METHODS FOR TREATING DISEASES OF THE LUNG MEDICUS BIOSCIENCES, LLC (US) 2011-11-10 WO disclosed
US-20110257090-A1 SOLUTIONS FOR VOLUME THERAPY FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2011-10-20 US disclosed
EP-2367530-A2 SOLUTIONS FOR VOLUME THERAPY Fresenius Kabi Deutschland GmbH (DE) 2011-09-28 EP disclosed
US-7943292-B2 Artificial plasma solution; blood substitutes BIOTIME, INC. (US) 2011-05-17 US disclosed