SCHEMBL23001045

SCHEMBL23001045

CCCCCCCCCCCCCCN(CCCCO)CCCP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.66
S1PR1 P21453 6/20 0.66
S1PR3 Q99500 6/20 0.66
S1PR5 Q9H228 2/20 0.66
LPAR3 Q9UBY5 3/20 0.59
LPAR2 Q9HBW0 1/20 0.59
S1PR4 O95977 5/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
GGPS1 O95749 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7125340 0.89 LPAR3 (0.75) S1PR2S1PR1S1PR3S1PR5LPAR3
Trolamine SCHEMBL9576536 0.85 LPAR3 (0.69) S1PR2S1PR1S1PR3S1PR5LPAR3
SCHEMBL29774223 0.85 S1PR2 (0.62) S1PR2S1PR1S1PR3S1PR5LPAR3
Docosanol SCHEMBL31540309 0.85 LPAR3 (0.82) S1PR2S1PR1S1PR3S1PR5LPAR3
Bromide SCHEMBL17394576 0.83 LPAR3 (0.72) S1PR2S1PR1S1PR3S1PR5LPAR3
SCHEMBL4937294 0.82 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1404090 0.82 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
Octanol SCHEMBL22656886 0.82 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1404085 0.82 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
Octanol SCHEMBL11125952 0.82 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A

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-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed