SCHEMBL7084467

SCHEMBL7084467

C=C(C)C(=O)Oc1ccc(C(C)C)c(OCCC)c1OCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
RXRA P19793 4/20 0.35
RARG P13631 1/20 0.35
PPARG P37231 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RARA P10276 2/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL7106601 0.88 MAPT (0.35) MAPTHSD17B10SMN1; SMN2ALDH1A1CA9
SCHEMBL11709701 0.80 MTNR1A (0.35) MAPTHSD17B10SMN1; SMN2CA9
SCHEMBL30384943 0.78 CA9 (0.33) MAPTHSD17B10SMN1; SMN2ALDH1A1RXRA
SCHEMBL66195 0.78 CA9 (0.33) MAPTHSD17B10SMN1; SMN2ALDH1A1RXRA
SCHEMBL2457034 0.78 L3MBTL1 (0.36) HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL10385058 0.76 KDM4E (0.44) HSD17B10SMN1; SMN2ALDH1A1CA9MAPK1
SCHEMBL14874589 0.76 MEN1 (0.34) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30384808 0.76 MEN1 (0.34) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28027609 0.76 CA9 (0.36) MAPTHSD17B10SMN1; SMN2ALDH1A1CA9
SCHEMBL29817538 0.75 ALDH1A1 (0.31) HSD17B10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811368-B1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORP (JP) 2003-07-23 EP disclosed
US-5866631-A POLYMERIZABLE MONOMER CONTAINING AN ACIDIC GROUP, WATER, ARYL BORATE AND TRANSITION METAL COMPOUND. TOKUYAMA CORPORATION (JP) 1999-02-02 US disclosed
EP-0811368-A1 DENTAL PRIMER COMPOSITION AND POLYMERIZATION CATALYST TOKUYAMA CORPORATION (JP) 1997-12-10 EP disclosed