SCHEMBL8776956

SCHEMBL8776956

CC1CCC(C)(C)CC1(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.46
ESR1 P03372 6/20 0.46
ENTPD5 O75356 2/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
OPRD1 P41143 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL669768 0.82 ESR2 (0.57) ESR2ESR1MMP2MMP9
SCHEMBL1501263 0.75 ESR2 (0.48) ESR2ESR1KMT2AMAPTGAA
SCHEMBL30132903 0.74 ESR2 (0.50) ESR2ESR1MAPT
SCHEMBL2855339 0.72 ESR2 (0.50) ESR2ESR1ENTPD5MMP2MMP9
SCHEMBL9065656 0.71 ESR2 (0.45) ESR2ESR1MMP2MMP9MAPT
SCHEMBL10448651 0.71 ESR2 (0.41) ESR2ESR1ENTPD5MMP2MMP9
SCHEMBL9067002 0.70 ESR2 (0.43) ESR2ESR1MAPT
SCHEMBL14451248 0.69 ESR1 (0.43) ESR2ESR1MAPTGAA
SCHEMBL10899121 0.69 ESR2 (0.44) ESR2ESR1KMT2AMAPTGAA
SCHEMBL9342028 0.68 ESR2 (0.58) ESR2ESR1MMP2MMP9KMT2A

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-0709229-B1 Heat-resistant layer for a dye-donor element AGFA GEVAERT NV (BE) 1997-12-10 EP disclosed
US-5585323-A CALCINED ALUMINUM SILICATE PARTICLES IN A BINDER; REDUCES THERMAL HEAD CONTAMINATION AGFA-GEVAERT N.V. (BE) 1996-12-17 US disclosed
EP-0709229-A1 Heat-resistant layer for a dye-donor element AGFA-GEVAERT N.V. (BE) 1996-05-01 EP disclosed