SCHEMBL23828673

SCHEMBL23828673

CCC1CCCN1CCCN1CCCC1CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR5 Q9H228 3/20 0.46
S1PR4 O95977 1/20 0.46
HSD17B10 Q99714 1/20 0.43
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
OPRD1 P41143 1/20 0.40
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
MAPK1 P28482 1/20 0.37
TERT O14746 1/20 0.37
TSHR P16473 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
SCHEMBL23828675 0.95 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4HSD17B10
SCHEMBL12643455 0.91 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4HSD17B10
SCHEMBL23828670 0.91 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4HSD17B10
Hydrochloric Acid SCHEMBL30330403 0.90 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4HSD17B10
Fluoride SCHEMBL30330556 0.90 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4HSD17B10
Hydrochloric Acid SCHEMBL30330420 0.90 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4HSD17B10
SCHEMBL2116369 0.88 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4HSD17B10
SCHEMBL2116370 0.88 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4HSD17B10
Hydrochloric Acid SCHEMBL30330555 0.88 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4HSD17B10
Fluoride SCHEMBL30330897 0.88 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306008-B2 Working medium and water treatment system KABUSHIKI KAISHA TOSHIBA (JP) 2022-04-19 US claimed
US-20210292194-A1 WORKING MEDIUM AND WATER TREATMENT SYSTEM KABUSHIKI KAISHA TOSHIBA (JP) 2021-09-23 US claimed
US-11306008-B2 Working medium and water treatment system KABUSHIKI KAISHA TOSHIBA (JP) 2022-04-19 US disclosed
US-20210292194-A1 WORKING MEDIUM AND WATER TREATMENT SYSTEM KABUSHIKI KAISHA TOSHIBA (JP) 2021-09-23 US disclosed