SCHEMBL8970892

SCHEMBL8970892

CC(C#N)Oc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OC(C)C#N)Cc1cc(C(C)(C)C)cc(c1O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
CD69 Q07108 1/20 0.41
TLR4 O00206 3/20 0.36
CD14 P08571 3/20 0.36
LY96 Q9Y6Y9 3/20 0.36
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL17995569 0.83 CD69 (0.46) ELANECD69TLR4CD14LY96
SCHEMBL8971151 0.81 ELANE (0.44) ELANECD69TLR4CD14LY96
SCHEMBL29517201 0.76 GABRA1 (0.50) ELANECD69TLR4CD14LY96
SCHEMBL30547266 0.76 GABRA1 (0.50) ELANECD69TLR4CD14LY96
SCHEMBL9910710 0.76 GABRA1 (0.50) ELANECD69TLR4CD14LY96
SCHEMBL2471228 0.76 GABRA1 (0.50) ELANECD69TLR4CD14LY96
SCHEMBL29945572 0.76 GABRA1 (0.50) ELANECD69TLR4CD14LY96
SCHEMBL13620669 0.76 GABRA1 (0.50) ELANECD69TLR4CD14LY96
SCHEMBL8955766 0.75 CD69 (0.52) ELANECD69TLR4CD14LY96
Carbon Dioxide SCHEMBL30318039 0.72 CD69 (0.46) ELANECD69TLR4CD14LY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700924-A2 Ion-sensitive compounds KODAK LIMITED (GB) 1996-03-13 EP disclosed