SCHEMBL5583900

SCHEMBL5583900

O=S(=O)(O)CCCOc1ccc(OCCCS(=O)(=O)O)cc1.[Na]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
BRCA1 P38398 1/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GMNN O75496 1/20 0.53
THPO P40225 1/20 0.53
MTOR P42345 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
HIF1A Q16665 1/20 0.53
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48

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
SCHEMBL4872642 0.98 ALDH1A1 (0.54) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5583901 0.94 RAB9A (0.55) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL20913146 0.91 RAB9A (0.57) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL11284597 0.91 ALDH1A1 (0.51) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5583947 0.91 MEN1 (0.51) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL15480485 0.90 LTA4H (0.52) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL17481692 0.89 CA12 (0.49) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5150899 0.88 ALDH1A1 (0.51) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL4364349 0.88 SMN1; SMN2 (0.48) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL11480102 0.88 LTA4H (0.50) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627657-A2 MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME University of Maryland, College Park (US) 2013-08-21 EP disclosed
EP-2627641-A1 REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL MOLECULAR CONTAINERS University of Maryland, College Park (US) 2013-08-21 EP disclosed
WO-2012051407-A2 MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2012-04-19 WO disclosed
WO-2012051413-A1 REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL MOLECULAR CONTAINERS UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2012-04-19 WO disclosed
US-7279244-B2 Fuel cell, polyelectrolyte and ion-exchange resin use for same HITACHI, LTD. (JP) 2007-10-09 US disclosed
US-7022743-B2 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2006-04-04 US disclosed
US-6989212-B2 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2006-01-24 US disclosed
US-20050271923-A1 Fuel cell, polyelectrolyte and ion-exchange resin use for same HITACHI, LTD. (JP) 2005-12-08 US disclosed
US-20030129467-A1 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2003-07-10 US disclosed
US-20030118886-A1 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2003-06-26 US disclosed