SCHEMBL9017285

SCHEMBL9017285

[CH2]C1(O)CCc2c(cccc2OCC(=O)OCC)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGIR P43119 1/20 0.45
PTGDR Q13258 1/20 0.45
USP2 O75604 1/20 0.43
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCB1 P08183 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTPN1 P18031 1/20 0.40
S1PR4 O95977 1/20 0.40

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
SCHEMBL9017289 0.87 PTGER1 (0.46) PTGER1PTGER3PTGIRPTGDRUSP2
SCHEMBL7051532 0.85 PTGER1 (0.52) PTGER1PTGER3PTGIRPTGDRUSP2
SCHEMBL9017265 0.84 PTGIR (0.57) PTGER1PTGER3PTGIRPTGDRSMN1; SMN2
SCHEMBL7777519 0.84 PTGIR (0.57) PTGER1PTGER3PTGIRPTGDRSMN1; SMN2
SCHEMBL9017268 0.84 PTGIR (0.57) PTGER1PTGER3PTGIRPTGDRSMN1; SMN2
SCHEMBL2876699 0.80 RXRA (0.54) USP2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7776656 0.76 PTGIR (0.80) PTGER1PTGER3PTGIRPTGDRUSP2
SCHEMBL7778514 0.76 PTGIR (0.80) PTGER1PTGER3PTGIRPTGDRUSP2
SCHEMBL7778523 0.76 PTGIR (0.80) PTGER1PTGER3PTGIRPTGDRUSP2
SCHEMBL8524473 0.76 PTGIR (0.45) PTGIRUSP2ALDH1A1ABCB1

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-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed