SCHEMBL7560566

SCHEMBL7560566

C[C@@H](OC(=O)CC(O)CC(=O)OP(C)(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.36
LPAR1 Q92633 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ANPEP P15144 1/20 0.33
LAP3 P28838 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
SCHEMBL7560563 0.90 HCAR2 (0.46) HCAR2KDM4EMAPTPOLBLPAR1
SCHEMBL9582353 0.87 HCAR2 (0.51) HCAR2KDM4EMAPTLPAR1TSHR
SCHEMBL9582347 0.83 HCAR2 (0.47) HCAR2KDM4EMAPTLPAR1TSHR
SCHEMBL9062501 0.83 HCAR2 (0.40) HCAR2KDM4EMAPTPOLBLPAR1
SCHEMBL872826 0.76 HCAR2 (0.53) HCAR2KDM4EMAPTLPAR1TSHR
SCHEMBL30688108 0.75 LTB4R (0.54) HCAR2KDM4EMAPTPOLBLPAR1
SCHEMBL3883004 0.72 HCAR2 (0.56) HCAR2KDM4EMAPTLPAR1TSHR
SCHEMBL11461421 0.72 HCAR2 (0.56) HCAR2KDM4EMAPTLPAR1TSHR
SCHEMBL16673205 0.72 HCAR2 (0.49) HCAR2KDM4EMAPTPOLBLPAR1
SCHEMBL1766133 0.71 TSHR (0.51) HCAR2KDM4EMAPTLPAR1TSHR

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
EP-0705837-B1 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES (JP) 2002-08-07 EP disclosed