SCHEMBL5584059

SCHEMBL5584059

CCCC(Oc1ccc(OC(CCC)S(=O)(=O)O)cc1)S(=O)(=O)O.CCCCOc1ccc(OCCCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LTA4H P09960 1/20 0.44
NR5A1 Q13285 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL6011810 0.94 LTA4H (0.51) TSHRCA12CA1CA2CA7
SCHEMBL5583892 0.89 KMT2A (0.39) TSHRCA1CA2LMNA
SCHEMBL5583887 0.84 CYP1A2 (0.40) NPC1RAB9ALMNA
SCHEMBL8070739 0.82 S1PR1 (0.51) CA2LMNATP53
SCHEMBL5704304 0.82 SMN1; SMN2 (0.42) LMNA
SCHEMBL6011914 0.81 SMN1; SMN2 (0.41) LMNA
SCHEMBL8386829 0.80 ALDH1A3 (0.53) LMNA
SCHEMBL9768759 0.79 ALDH1A1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL10597605 0.79 ALDH1A3 (0.51) LMNA
SCHEMBL9221213 0.77 CTRC (0.46) TP53

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 5 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-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