SCHEMBL8580294

SCHEMBL8580294

C(#Cc1ccc2c(c1)[CH]c1cc(C#Cc3ccccc3)ccc1-2)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
GRM5 P41594 11/20 0.52
MAPT P10636 1/20 0.46
HNF4A P41235 1/20 0.43
ASIC3 Q9UHC3 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
FFAR1 O14842 1/20 0.38

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
SCHEMBL10675429 0.76 APP (0.55) APPGRM5MAPTHNF4AASIC3
SCHEMBL8579924 0.76 CYP1A1 (0.41)
SCHEMBL2114741 0.75 APP (0.92) APPGRM5MAPTHNF4ACA12
Diphenylacetylene SCHEMBL27628902 0.75 APP (0.92) APPGRM5MAPTHNF4AASIC3
SCHEMBL7526751 0.74 GRM5 (0.56) APPGRM5MAPTHNF4AASIC3
SCHEMBL6364777 0.73 APP (0.75) APPGRM5MAPTHNF4AASIC3
Diphenylacetylene SCHEMBL27913124 0.72 APP (0.86) APPGRM5MAPTHNF4AASIC3
SCHEMBL7997661 0.72 GRM5 (0.55) APPGRM5MAPTHNF4AASIC3
SCHEMBL8577931 0.72 GRM5 (0.61) APPGRM5MAPTHNF4AFFAR1
SCHEMBL8909968 0.72 GRM5 (0.65) APPGRM5MAPTHNF4ACA12

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
US-5705578-A Method for making and using a supported metallocene catalyst system PHILLIPS PETROLEUM COMPANY (US) 1998-01-06 US claimed
US-5830958-A Polynuclear metallocene preparation and use PHILLIPS PETROLEUM COMPANY (US) 1998-11-03 US disclosed
US-5705578-A Method for making and using a supported metallocene catalyst system PHILLIPS PETROLEUM COMPANY (US) 1998-01-06 US disclosed