SCHEMBL5583947

SCHEMBL5583947

COc1ccc(OCCCS(=O)(=O)O)cc1.[Na]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.49
PKM P14618 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.48
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALOX15 P16050 1/20 0.47
BRCA1 P38398 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 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
SCHEMBL3056009 0.98 MAPT (0.50) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL11474738 0.91 MEN1 (0.50) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL5583900 0.91 ALDH1A1 (0.53) ALDH1A1PKMMAPTLMNASMN1; SMN2
SCHEMBL4872642 0.89 ALDH1A1 (0.54) ALDH1A1PKMMAPTLMNASMN1; SMN2
SCHEMBL5583901 0.85 RAB9A (0.55) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL17481692 0.84 CA12 (0.49) ALDH1A1PKMMAPTMMP13LMNA
SCHEMBL12781078 0.84 CA12 (0.56) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL10576032 0.84 L3MBTL1 (0.53) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL20913146 0.83 RAB9A (0.57) ALDH1A1PKMMAPTLMNASMN1; SMN2
SCHEMBL11284597 0.82 ALDH1A1 (0.51) ALDH1A1PKMMAPTLMNASMN1; 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 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