SCHEMBL4592740

SCHEMBL4592740

CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].[Pb+2]

nearest known ligand 0.96

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 0.96
TSHR P16473 2/20 0.96
GLA P06280 1/20 0.96
HPGD P15428 1/20 0.96
MAPK1 P28482 1/20 0.96
EPHX2 P34913 1/20 0.96
BLM P54132 1/20 0.96
CA1 P00915 10/20 0.57
CA2 P00918 10/20 0.57
CA9 Q16790 8/20 0.57
CA12 O43570 3/20 0.57
CA7 P43166 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA3 P07451 2/20 0.57
CA4 P22748 2/20 0.57
CA6 P23280 2/20 0.57
CA5A P35218 2/20 0.57
CA5B Q9Y2D0 2/20 0.57
FUT7 Q11130 1/20 0.42
FGF1 P05230 3/20 0.42

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
SCHEMBL11130202 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
SCHEMBL22390647 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
Sodium Decyl Sulfate SCHEMBL144219 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
SCHEMBL23387500 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
SCHEMBL1134676 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
SCHEMBL25262176 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
SCHEMBL22390632 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
SCHEMBL22390687 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
SCHEMBL22390764 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1
SCHEMBL11459438 0.98 RECQL (1.00) RECQLTSHRGLAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888134-A2 WOUND DRESSING COMPOSITIONS, ESPECIALLY FOR DELIVERY OF PROTEASE INHIBITORS Switch Biotech Aktiengesellschaft (DE) 2008-02-20 EP disclosed
WO-2006037606-A2 WOUND DRESSING COMPOSITIONS, ESPECIALLY FOR DELIVERY OF PROTEASE INHIBITORS SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2006-04-13 WO disclosed