SCHEMBL21154902

SCHEMBL21154902

O=P(O)(O)CCC1CCCSC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.36
GRIN2D O15399 5/20 0.34
GRIN3B O60391 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2A Q12879 5/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN3A Q8TCU5 5/20 0.34
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR2 O95136 1/20 0.33
UGT2B7 P16662 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL21102329 0.88 TYMS (0.35) METAP1S1PR4S1PR1S1PR3S1PR5
SCHEMBL7805193 0.76 METAP1 (0.57) METAP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5468923 0.74
SCHEMBL10541900 0.74
SCHEMBL14093959 0.73 CYP1A2 (0.36)
SCHEMBL5471694 0.71 CYP1A2 (0.31)
SCHEMBL24736363 0.70
SCHEMBL2642183 0.69
SCHEMBL2642180 0.69
SCHEMBL22519860 0.68

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
EP-3509117-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR BATTERY, METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT, AND SURFACE TREATMENT AGENT FOR PEROVSKITE-TYPE CRYSTAL FILM FUJIFILM Corporation (JP) 2019-07-10 EP disclosed