SCHEMBL1363553

SCHEMBL1363553

Cc1cccc(OCC#Cc2ccc(CCC(C)(N)CCP(=O)(O)O)n2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
S1PR4 O95977 1/20 0.39
EGLN1 Q9GZT9 1/20 0.35
HTR1B P28222 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 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
SCHEMBL387821 0.84 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4EGLN1
SCHEMBL383554 0.83 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4EGLN1
SCHEMBL385549 0.83 S1PR1 (0.43) S1PR1S1PR3S1PR5S1PR4
SCHEMBL386909 0.74 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4TSHR
SCHEMBL386175 0.72 S1PR1 (0.40) S1PR1S1PR3S1PR5S1PR4
SCHEMBL386800 0.72 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4EGLN1
SCHEMBL385741 0.71 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4
SCHEMBL386305 0.71 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL385736 0.71 ALOX5 (0.36) S1PR1S1PR3S1PR5EGLN1ALDH1A1
SCHEMBL385597 0.70 S1PR1 (0.38) S1PR1S1PR3S1PR5S1PR4EGLN1

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
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US claimed