SCHEMBL5584060

SCHEMBL5584060

CCCCOc1ccc(OCCCC)cc1.O=S(=O)(O)CCCCOc1ccc(OCCCCS(=O)(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.57
TSHR P16473 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
NR5A1 Q13285 1/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 1/20 0.53
LTA4H P09960 2/20 0.51
PLA2G4B P0C869 2/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL6011812 0.93 LTA4H (0.60) S1PR1TSHRTP53LTA4HPLA2G4B
SCHEMBL20913146 0.92 RAB9A (0.57) S1PR1TSHRCA12CA1CA2
SCHEMBL5583901 0.90 RAB9A (0.55) S1PR1TSHRCA12CA1CA2
SCHEMBL12781078 0.89 CA12 (0.56) S1PR1TSHRCA12CA1CA2
SCHEMBL12215357 0.88 S1PR1 (0.53) S1PR1TSHRCA12CA1CA2
SCHEMBL2686941 0.88 S1PR1 (0.67) S1PR1TSHRNR5A1TP53PLA2G4B
SCHEMBL13431939 0.87 L3MBTL1 (0.51) S1PR1RAB9ANPC1LTA4HLMNA
SCHEMBL9393649 0.87 S1PR1 (0.66) S1PR1TSHRNR5A1TP53PLA2G4B
SCHEMBL9452163 0.87 S1PR1 (0.66) S1PR1TSHRNR5A1TP53PLA2G4B
SCHEMBL16706068 0.86 TSHR (0.50) S1PR1TSHRCA12CA1CA2

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