SCHEMBL4881249

SCHEMBL4881249

C=Cc1ccc(C(C)P(=O)(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
PGK1 P00558 4/20 0.38
PGK2 P07205 4/20 0.38
PTGS2 P35354 2/20 0.36
TYR P14679 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN5 P54829 1/20 0.33
ACP3 P15309 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL15534136 0.80 SRC (0.54) ALDH1A1TDP1TAS1R3TAS1R1PGK1
SCHEMBL3883015 0.75 CA12 (0.48) PGK1PGK2TSHRACP3
SCHEMBL2199107 0.75 ESR1 (0.52) TDP1PGK1PGK2KDM4E
SCHEMBL394726 0.74 ALDH1A1 (0.55) ALDH1A1TDP1TAS1R3TAS1R1PTGS2
SCHEMBL5058077 0.74 ACP3 (0.40) ALDH1A1TDP1TAS1R3TAS1R1PGK1
SCHEMBL2637390 0.74 PGK1 (0.41) ALDH1A1PGK1PGK2PTPN5ACP3
SCHEMBL232549 0.73 SRC (0.60) PGK1PGK2ACP3
SCHEMBL367595 0.72 TYR (0.58) ALDH1A1TDP1PTGS2TYRKDM4E
SCHEMBL6281528 0.72 ALDH1A1 (0.58) ALDH1A1TDP1TAS1R3TAS1R1PTGS2
SCHEMBL1140933 0.72 ALDH1A1 (0.58) ALDH1A1TDP1TAS1R3TAS1R1PTGS2

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
US-20080114128-A1 Synthesis of Copolymers in the Form of a Mikto Star by Controlled Radical Polymerization RHODIA CHIMIE (FR) 2008-05-15 US claimed
US-20080114128-A1 Synthesis of Copolymers in the Form of a Mikto Star by Controlled Radical Polymerization RHODIA CHIMIE (FR) 2008-05-15 US disclosed