SCHEMBL9485449

SCHEMBL9485449

CCCCCCCCCCCCC1CCC(OP(=O)(O)OC2CCC(CCCCCCCCCCCC)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR5 Q9H228 3/20 0.43
S1PR2 O95136 2/20 0.43
S1PR4 O95977 2/20 0.43
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39
CYP1A2 P05177 3/20 0.39
TERT O14746 1/20 0.38
UCHL3 P15374 1/20 0.38
AKT1 P31749 1/20 0.38
MAPK14 Q16539 1/20 0.38
LPAR3 Q9UBY5 5/20 0.38
LPAR2 Q9HBW0 3/20 0.38
LPAR1 Q92633 2/20 0.38
GGPS1 O95749 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL9485299 1.00 S1PR1 (0.43) S1PR1S1PR3S1PR5S1PR2S1PR4
SCHEMBL17832987 0.90 AKT1 (0.40) S1PR1S1PR3S1PR5S1PR2S1PR4
SCHEMBL9485332 0.86 ALDH1A1 (0.36) S1PR1S1PR3S1PR5S1PR2S1PR4
SCHEMBL17817209 0.84 AKT1 (0.45) MEN1KMT2ATERTUCHL3AKT1
SCHEMBL17817229 0.84 AKT1 (0.45) MEN1KMT2ATERTUCHL3AKT1
SCHEMBL24104635 0.84 AKT1 (0.37) S1PR1S1PR3S1PR5S1PR2S1PR4
SCHEMBL23016753 0.84 AKT1 (0.45) MEN1KMT2ATERTUCHL3AKT1
SCHEMBL17817658 0.84 AKT1 (0.37) S1PR1S1PR3S1PR5S1PR2S1PR4
SCHEMBL9484253 0.80 SMPD1 (0.41) S1PR1S1PR3S1PR2S1PR4TERT
SCHEMBL9485204 0.80 S1PR1 (0.40) S1PR1S1PR3S1PR5S1PR2S1PR4

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-5258167-A Extractant for rare earth metal and method for extracting the same LION CORPORATION (JP) 1993-11-02 US disclosed