SCHEMBL1298339

SCHEMBL1298339

CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCS(=O)(=O)O

nearest known ligand 0.66

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.52
CA2 P00918 10/20 0.52
CA9 Q16790 8/20 0.52
CA12 O43570 3/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
RECQL P46063 2/20 0.50
EPHX2 P34913 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
FAAH O00519 2/20 0.42
CES2 O00748 1/20 0.41

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
SCHEMBL7592784 1.00 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL7584886 1.00 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL27510902 1.00 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL27557255 1.00 CA1 (0.52) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL29043301 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL29043303 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL28100266 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL1580314 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL2873558 0.90 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL142063 0.90 CA1 (0.61) CA1CA2CA9CA12CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269881-A1 METHOD FOR MANUFACTURING NATURAL RUBBER THE YOKOHAMA RUBBER CO., LTD. (JP) 2011-11-03 US disclosed
CN-1205360-C Acid bath for galvanic deposition of shining gold and gold alloy layers and brightener therefor DEGUSSA ELECTROLYTIC TECHNOLOG (DE) 2005-06-08 CN disclosed
CN-1357060-A Acid bath for galvanic deposition of shining gold and gold alloy layers and brightener therefor DEGUSSA (DE) 2002-07-03 CN disclosed