SCHEMBL6715122

SCHEMBL6715122

N=C(N)CCCCCCCCCCCO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.59
SPHK1 Q9NYA1 1/20 0.59
GPR84 Q9NQS5 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
F2 P00734 1/20 0.32

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
SCHEMBL2414505 1.00 SPHK2 (0.59) SPHK2SPHK1GPR84FFAR1FFAR4
SCHEMBL2410487 1.00
SCHEMBL7353606 1.00 SPHK2 (0.59) SPHK2SPHK1GPR84FFAR1FFAR4
SCHEMBL3909714 0.97
SCHEMBL2926097 0.88
SCHEMBL23668354 0.87 SPHK2 (0.72) SPHK2SPHK1LMNAALDH1A1MEN1
SCHEMBL17747405 0.87 SPHK2 (0.72) SPHK2SPHK1LMNAALDH1A1MEN1
SCHEMBL31541184 0.87 SPHK2 (0.72) SPHK2SPHK1LMNAALDH1A1MEN1
SCHEMBL31541186 0.87 SPHK2 (0.72) SPHK2SPHK1LMNAALDH1A1MEN1
SCHEMBL11154443 0.87 SPHK2 (0.72) SPHK2SPHK1LMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed