SCHEMBL7560563

SCHEMBL7560563

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
LPAR1 Q92633 1/20 0.37
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 2/20 0.34
OPRM1 P35372 2/20 0.34

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
SCHEMBL7560566 0.90 HCAR2 (0.41) HCAR2MAPTKDM4EPOLBLPAR1
SCHEMBL9582353 0.88 HCAR2 (0.51) HCAR2MAPTKDM4ELPAR1MAPK1
SCHEMBL9582347 0.84 HCAR2 (0.47) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL9062501 0.81 HCAR2 (0.40) HCAR2MAPTKDM4EPOLBLPAR1
SCHEMBL872826 0.77 HCAR2 (0.53) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL30688108 0.76 LTB4R (0.54) HCAR2MAPTKDM4EPOLBLPAR1
SCHEMBL7560570 0.74 TDP1 (0.46) HCAR2LPAR1MAPK1TSHRALDH1A1
SCHEMBL11461421 0.73 HCAR2 (0.56) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL3883004 0.73 HCAR2 (0.56) HCAR2MAPTKDM4ELPAR1TSHR
SCHEMBL16673205 0.73 HCAR2 (0.49) HCAR2MAPTKDM4EPOLBLPAR1

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