SCHEMBL5583944

SCHEMBL5583944

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP13 P45452 2/20 0.42
PKM P14618 4/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
GAA P10253 1/20 0.40
CA9 Q16790 2/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL5583894 0.93 ALDH1A1 (0.35) MMP1MMP13ALDH1A1CA1CA2
SCHEMBL2128301 0.84 CA1 (0.40) ALDH1A1CA1CA2KMT2APPARG
SCHEMBL5150897 0.83 TDP1 (0.41) PKMALDH1A1CA1CA2GAA
SCHEMBL6364754 0.83 SMN1; SMN2 (0.32) ALDH1A1KMT2A
SCHEMBL5704313 0.82 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1PPARGPPARA
SCHEMBL8389840 0.80 ALDH1A3 (0.51) ALDH1A1KMT2APPARG
SCHEMBL5150947 0.79
SCHEMBL5583892 0.79 KMT2A (0.39) MMP1MMP13TAS1R3TAS1R1ALDH1A1
SCHEMBL11794637 0.75 PPARA (0.50) ALDH1A1CA2KMT2APPARA
SCHEMBL5583887 0.75 CYP1A2 (0.40) MMP1MMP13PKMALDH1A1KMT2A

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