SCHEMBL6727149

SCHEMBL6727149

CCCCCC(N)CC(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.50
OPRM1 P35372 1/20 0.48
S1PR2 O95136 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR4 O95977 4/20 0.47
CYP2D6 P10635 2/20 0.47
TP53 P04637 2/20 0.47
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
BLM P54132 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3678209 0.98 SPHK1 (0.54) SPHK1OPRM1S1PR2S1PR1S1PR3
SCHEMBL6942454 0.98 SPHK1 (0.54) SPHK1OPRM1S1PR2S1PR1S1PR3
SCHEMBL76227 0.98 SPHK1 (0.54) SPHK1OPRM1S1PR2S1PR1S1PR3
SCHEMBL3676653 0.98 SPHK1 (0.54) SPHK1OPRM1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL28157784 0.96 SPHK1 (0.52) SPHK1OPRM1S1PR2S1PR1S1PR3
SCHEMBL11050257 0.87 MEN1 (0.47) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL6012445 0.85 OPRM1 (0.57) SPHK1OPRM1S1PR2S1PR1S1PR3
SCHEMBL6730336 0.84 SPHK1 (0.54) SPHK1OPRM1S1PR2S1PR1S1PR3
SCHEMBL4327877 0.82
SCHEMBL27570387 0.82 PLA2G1B (0.58) SPHK1OPRM1S1PR2S1PR1S1PR3

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-6680286-B1 CONTAINING AN ORGANIC POLYELECTROLYTE BUILDER, QUATERNARY AMMONIUM ACRYLIC POLYMERS, WHICH ARE ESPECIALLY USEFUL FOR WASHING CLOTHES SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed