SCHEMBL8490335

SCHEMBL8490335

CCCCCCN(C)CCCS

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.59
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
CHRM2 P08172 1/20 0.44
GGPS1 O95749 4/20 0.42
KDM5A P29375 3/20 0.42
KDM4C Q9H3R0 2/20 0.42
PHF8 Q9UPP1 1/20 0.42
FDPS P14324 1/20 0.41
AGTR1 P30556 1/20 0.41
OPRM1 P35372 1/20 0.41
PDE3A Q14432 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7208783 0.97 DNM1 (0.55) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL8493299 0.95 DNM1 (0.59) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL8495114 0.92 DNM1 (0.55) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL23390588 0.90 DNM1 (0.59) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL7902686 0.90 DNM1 (0.59) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL8259380 0.90 DNM1 (0.43) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL7211466 0.87 DNM1 (0.55) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL8495233 0.87 DNM1 (0.48) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL23502354 0.87 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL408903 0.87 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5

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
EP-0676237-B1 Modified ion exchange resins and use thereof MITSUBISHI CHEM CORP (JP) 1999-03-17 EP disclosed
US-5589517-A N,N-DI-SUBSTITITUTED MERCAPTOALKYLAMINE SULFONIC ACID ION EXCHANGE RESIN AS CATALYST FOR CONDENSATION REACTION OF A PHENOL AND A KETONE TO PRODUCE A BISPHENOL MITSUBISHI CHEMICAL CORPORATION (JP) 1996-12-31 US disclosed
EP-0676237-A1 Modified ion exchange resins and use thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1995-10-11 EP disclosed