SCHEMBL8961877

SCHEMBL8961877

CC(C)(C)c1ccc(OC#N)c(Cc2cc(C(C)(C)C)ccc2OC#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 4/20 0.37
CYP2D6 P10635 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.35
KIF11 P52732 1/20 0.34
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3787060 0.83 SLC6A4 (0.44) ATMMAPTL3MBTL1CYP2D6KIF11
SCHEMBL4449148 0.77 AMY1A (0.39) MAPTALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL12905335 0.76 CYP3A4 (0.36) CYP1A2CYP3A4
SCHEMBL8579897 0.75
SCHEMBL10887583 0.74 HTR2A (0.31) HTR2ASLC6A4KCNH2
SCHEMBL3420813 0.73 ELANE (0.36) MAPTMAPK1L3MBTL1KDM4EHSD17B10
SCHEMBL29664254 0.73 ELANE (0.36) MAPTMAPK1L3MBTL1KDM4EHSD17B10
SCHEMBL195863 0.71 CASP1 (0.44) ATMNPSR1MAPTMAPK1L3MBTL1
SCHEMBL3416065 0.70 ESR1 (0.33) NPSR1MAPTMAPK1CA1CA2
SCHEMBL3418379 0.69 ESR1 (0.44) L3MBTL1KDM4EHSD17B10ALDH1A1HPGD

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-5488144-A Bifunctional aromatic cyanates, prepolymers and electrical laminates made therefrom KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-30 US claimed
US-5550282-A CURABLE COMPOSITION COMPRISING PARTIALLY TRIMERIZED PREPOLYMER OF AROMATIC DICYANATE ESTER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-27 US disclosed
US-5488144-A Bifunctional aromatic cyanates, prepolymers and electrical laminates made therefrom KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-30 US disclosed