SCHEMBL5583887

SCHEMBL5583887

CCCC(Oc1ccc(-c2ccc(OC(CCC)S(=O)(=O)O)cc2)cc1)S(=O)(=O)O.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP1 P03956 3/20 0.36
MMP13 P45452 3/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP8 P22894 2/20 0.36
MMP14 P50281 2/20 0.36
PTGS2 P35354 1/20 0.36
HDAC3 O15379 1/20 0.35

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
SCHEMBL5583892 0.95 KMT2A (0.39) ALDH1A1LMNAKMT2AL3MBTL1MMP1
SCHEMBL6011914 0.87 SMN1; SMN2 (0.41) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5704304 0.85 SMN1; SMN2 (0.42) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5584059 0.84 TSHR (0.49) LMNANPC1RAB9A
SCHEMBL8386829 0.83 ALDH1A3 (0.53) MAPTALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL9768759 0.82 ALDH1A1 (0.33) ALDH1A1LMNAKMT2AL3MBTL1MMP1
SCHEMBL10597605 0.81 ALDH1A3 (0.51) MAPTALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL5583894 0.80 ALDH1A1 (0.35) CYP1A2MAPTALDH1A1LMNAKMT2A
SCHEMBL8070739 0.79 S1PR1 (0.51) ALDH1A1LMNAKMT2APTGS2PPARA
SCHEMBL6011810 0.79 LTA4H (0.51) PPARGPPARA

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