SCHEMBL11049256

SCHEMBL11049256

CCc1ccc(C)c(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
POLB P06746 4/20 0.41
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
NOS3 P29474 3/20 0.38
NOS2 P35228 3/20 0.38
NOS1 P29475 1/20 0.38
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PAX8 Q06710 1/20 0.33
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
CD44 P16070 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CASP1 P29466 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
SCHEMBL6320495 0.83 POLB (0.42) ATP4AATP4BPOLBALDH1A1HTT
SCHEMBL7101043 0.83 POLB (0.42) POLBALDH1A1HTTMAPTNOS3
SCHEMBL2776271 0.81 ALDH1A1 (0.40) POLBALDH1A1HTTMAPTNOS3
SCHEMBL8977704 0.81 GABRA1 (0.36) POLBALDH1A1HTTMAPTNOS3
SCHEMBL11661917 0.81 POLB (0.52) ATP4AATP4BPOLBALDH1A1HTT
Hydrochloric Acid SCHEMBL28250964 0.81 POLB (0.41) POLBALDH1A1HTTMAPTNOS3
SCHEMBL8443799 0.79 NOS2 (0.45) POLBALDH1A1HTTMAPTNOS3
SCHEMBL12797849 0.79 POLB (0.41) ATP4AATP4BPOLBALDH1A1HTT
SCHEMBL16194443 0.79 ATP4A (0.43) ATP4AATP4BPOLB
Hydrochloric Acid SCHEMBL6481922 0.77 PON1 (0.39) ATP4AATP4BPOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439447-A Fungicidal acyl anilides CIBA-GEIGY CORPORATION (US) 1984-03-27 US disclosed
US-4427696-A Fungicidal acyl anilides CIBA-GEIGY CORPORATION (US) 1984-01-24 US disclosed
EP-0086477-A1 Chloracetanilides, process for their preparation, their use as herbicides and composition containing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-24 EP disclosed
US-4294850-A Fungicidal acylanilides CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
US-4206228-A N-/DITHIOCARBAMYLACETYL/-N-/CARBOXYALKYL/-ANILINE CIBA-GEIGY CORPORATION (US) 1980-06-03 US disclosed
US-4204002-A FOR COMBATTING PHYTOPATHOGENIC FUNGI CIBA-GEIGY CORPORATION (US) 1980-05-20 US disclosed
US-4151299-A Certain aniline derivatives as microbicidal agents CIBA-GEIGY CORPORATION (US) 1979-04-24 US disclosed
US-4094990-A CERTAIN PHYTOFUNGICIDAL N-FURANYL CARBONYL AND TETRAHYDROFURANYL CARBONYL, N-(SUBSTITUTED)PHENYL ALANINES CIBA-GEIGY CORPORATION (US) 1978-06-13 US disclosed
US-4093738-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1978-06-06 US disclosed