SCHEMBL2419707

SCHEMBL2419707

CCCCCCCCCCCCOS(=O)(=O)[O-].CCCC[P+](CCCC)(CCCC)CCCC

nearest known ligand 0.75

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
RECQL P46063 2/20 0.75
GLA P06280 1/20 0.75
HPGD P15428 1/20 0.75
TSHR P16473 1/20 0.75
MAPK1 P28482 1/20 0.75
EPHX2 P34913 1/20 0.75
BLM P54132 1/20 0.75
CA1 P00915 10/20 0.50
CA2 P00918 10/20 0.50
CA9 Q16790 8/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
DNM1 Q05193 2/20 0.50
CES2 O00748 1/20 0.36

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
SCHEMBL6338087 1.00 RECQL (0.75) RECQLGLAHPGDTSHRMAPK1
SCHEMBL1416476 0.96 RECQL (0.75) RECQLGLAHPGDTSHRMAPK1
SCHEMBL1416646 0.96 RECQL (0.75) RECQLGLAHPGDTSHRMAPK1
SCHEMBL1416798 0.93 RECQL (0.69) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4427096 0.92 TSHR (0.62) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2761119 0.90 RECQL (0.66) RECQLGLAHPGDTSHRMAPK1
SCHEMBL25262176 0.86 RECQL (1.00) RECQLGLAHPGDTSHRMAPK1
SCHEMBL21550444 0.86 RECQL (0.91) RECQLGLAHPGDTSHRMAPK1
SCHEMBL22283884 0.86 RECQL (0.91) RECQLGLAHPGDTSHRMAPK1
Lithium Ion SCHEMBL25256858 0.86 RECQL (0.91) RECQLGLAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8025010-B1 Method for reducing charge retention properties of solid propellants ALLIANT TECHSYSTEMS INC. (US) 2011-09-27 US disclosed