SCHEMBL8955766

SCHEMBL8955766

CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCC#N)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCC#N)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.52
ELANE P08246 1/20 0.52
TLR4 O00206 3/20 0.46
CD14 P08571 3/20 0.46
LY96 Q9Y6Y9 3/20 0.46
PTPRC P08575 4/20 0.38
PTPN2 P17706 4/20 0.38
PTPN1 P18031 4/20 0.38
PTPRB P23467 4/20 0.38
PTPN11 Q06124 4/20 0.38
GSTA1 P08263 5/20 0.33
GSTP1 P09211 5/20 0.33
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
CYP2C19 P33261 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL14617494 0.79 PTPRC (0.57) CD69ELANETLR4CD14LY96
SCHEMBL14617492 0.78 TLR4 (0.57) CD69ELANETLR4CD14LY96
SCHEMBL30547266 0.77 GABRA1 (0.50) CD69ELANETLR4CD14LY96
SCHEMBL9910710 0.77 GABRA1 (0.50) CD69ELANETLR4CD14LY96
SCHEMBL29945572 0.77 GABRA1 (0.50) CD69ELANETLR4CD14LY96
SCHEMBL13620669 0.77 GABRA1 (0.50) CD69ELANETLR4CD14LY96
SCHEMBL2471228 0.77 GABRA1 (0.50) CD69ELANETLR4CD14LY96
SCHEMBL29517201 0.77 GABRA1 (0.50) CD69ELANETLR4CD14LY96
SCHEMBL1722335 0.76 TLR4 (0.55) CD69ELANETLR4CD14LY96
SCHEMBL8970892 0.75 ELANE (0.41) CD69ELANETLR4CD14LY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8176086-A None JP disclosed
JP-H08176086-A ION-SENSITIVE COMPOUND EASTMAN KODAK CO 1996-07-09 JP disclosed