SCHEMBL7596269

SCHEMBL7596269

CCCCCCCCCCCCC1OCC(N)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 19/20 1.00
SPHK1 Q9NYA1 17/20 1.00

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
2-Epi Jaspine B SCHEMBL17356380 1.00 SPHK2 (1.00) SPHK2SPHK1
SCHEMBL7125070 1.00 SPHK2 (1.00) SPHK2SPHK1
SCHEMBL7129859 1.00 SPHK2 (1.00) SPHK2SPHK1
Pachastrissamine SCHEMBL766801 1.00 SPHK2 (1.00) SPHK2SPHK1
SCHEMBL6276277 1.00 SPHK2 (1.00) SPHK2SPHK1
2-Epi Jaspine B SCHEMBL7125067 1.00 SPHK2 (1.00) SPHK2SPHK1
2-Epi Jaspine B SCHEMBL17356379 1.00 SPHK2 (1.00) SPHK2SPHK1
SCHEMBL17350826 0.85 SPHK1 (0.73) SPHK2SPHK1
SCHEMBL22576609 0.85 SPHK1 (0.73) SPHK2SPHK1
SCHEMBL11117820 0.81 SPHK2 (0.69) SPHK2SPHK1

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-1255746-A1 OXY- AND AMINO-SUBSTITUTED TETRAHYDROFURYL DERIVATIVES WITH ANTIMOUR ACTIVITY PHARMA MAR, S.A. (ES) 2002-11-13 EP disclosed
WO-2001060810-A1 OXY-AND AMINO-SUBSTITUTED TETRAHYDROFURYL DERIVATIVES WITH ANTITUMOUR ACTIVITY PHARMA MAR, S.A. (ES) 2001-08-23 WO disclosed