SCHEMBL5583901

SCHEMBL5583901

O=S(=O)(O)CCCCOc1ccc(OCCCCS(=O)(=O)O)cc1.[Na]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
BRCA1 P38398 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GMNN O75496 1/20 0.55
PKM P14618 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
HIF1A Q16665 1/20 0.55
MGLL Q99685 1/20 0.47
CA12 O43570 6/20 0.47

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
SCHEMBL20913146 0.98 RAB9A (0.57) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL5583900 0.94 ALDH1A1 (0.53) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL4872642 0.91 ALDH1A1 (0.54) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL11275126 0.90 RAB9A (0.51) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL5584060 0.90 S1PR1 (0.57) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL14469781 0.89 RAB9A (0.48) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL6425890 0.89 NR5A1 (0.53) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL13431939 0.89 L3MBTL1 (0.51) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL8772870 0.89 RAB9A (0.54) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL5704307 0.88 KCNA3 (0.61) RAB9AALDH1A1LMNAPOLBSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086837-A1 METHODS OF SYNTHESIS FOR CUCURBITURIL COMPOUNDS CLEAR SCIENTIFIC, INC. (US) 2024-04-25 WO disclosed
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-2012051413-A1 REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL MOLECULAR CONTAINERS UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2012-04-19 WO disclosed
WO-2012051407-A2 MOLECULAR CONTAINERS AND METHODS OF MAKING AND USING SAME 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