SCHEMBL5583894

SCHEMBL5583894

CCC(Oc1ccc(OC(CC)S(=O)(=O)O)cc1)S(=O)(=O)O.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.33
HIF1A Q16665 1/20 0.33
STS P08842 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL5583944 0.93 MMP1 (0.42) ALDH1A1KMT2APPARGPPARAMMP1
SCHEMBL2128301 0.91 CA1 (0.40) ALDH1A1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL5150897 0.89 TDP1 (0.41) ALDH1A1SMN1; SMN2CYP1A2MAPTCA12
SCHEMBL6364754 0.89 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2CYP1A2POLBMAPT
SCHEMBL5704313 0.89 MTNR1A (0.40) ALDH1A1SMN1; SMN2MAPTPPARGPPARA
SCHEMBL8389840 0.86 ALDH1A3 (0.51) ALDH1A1SMN1; SMN2MAPTKMT2ASTS
SCHEMBL5150947 0.85
SCHEMBL5583892 0.85 KMT2A (0.39) ALDH1A1SMN1; SMN2POLBKMT2APPARG
SCHEMBL11794637 0.81 PPARA (0.50) ALDH1A1SMN1; SMN2KMT2AESR1HIF1A
SCHEMBL5583887 0.80 CYP1A2 (0.40) ALDH1A1CYP1A2MAPTKMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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